Geometry & MOs

Info

ID:

319616

PubChem CID:

126656806

Reduced:

NO6C22H25 (1)

Stoich.:

AB6C22D25 (1)

Weight, g/mol:

381.241627

ΔHf, kcal/mol:

-193.38

Dipole, Da:

4.79

IP(EA), eV:

 -8.3(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(dimethylamino)-1-[(1R,15S,17S)-7-hydroxy-17-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(COC1=C(C=C(C=C1)N2CCC(C2=O)OC3=CC=C(C=C3)C=O)OC)O

DOS

IR

Vibrations