Geometry & MOs

Info

ID:

309125

PubChem CID:

126537977

Reduced:

N3O17C47H75 (1)

Stoich.:

A3B17C47D75 (1)

Weight, g/mol:

413.30825

ΔHf, kcal/mol:

-750.75

Dipole, Da:

5.88

IP(EA), eV:

 -9.43(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-ethyl-9-hex-5-enyl-3,3-dimethyl-15-methylidene-16-prop-1-en-2-yl-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene

Drug info:

PubChemData

Smile

CC1/C=C/C(C(CCCCC(OC(=O)CC2(CC(C(C1O2)C)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)C)O)C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations