Geometry & MOs

Info

ID:

310207

PubChem CID:

126576760

Reduced:

O10C21H40 (1)

Stoich.:

A10B21C40 (1)

Weight, g/mol:

1010.513492

ΔHf, kcal/mol:

-426.86

Dipole, Da:

4.3

IP(EA), eV:

-9.23(1.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[2,3-bis[3-(diethylamino)propoxy]-4-(30-methyl-30-azaheptadecacyclo[10.8.8.813,17.75,28.04,22.08,34.09,32.016,42.020,37.021,38.023,35.024,39.025,33.026,40.027,43.028,32.036,41]tritetraconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25(33),26,34,36,38,40,42-nonadecaen-29-yl)phenoxy]-N,N-diethylpropan-1-amine

Drug info:

PubChemData

Smile

COCC1C(C(C(C(O1)CC2(C(C(C(O2)COC)OC)OC)COC)OC)OC)OC

DOS

IR

Vibrations