Geometry & MOs

Info

ID:

396701

PubChem CID:

135029049

Reduced:

NO2C23H29 (1)

Stoich.:

AB2C23D29 (1)

Weight, g/mol:

377.235479

ΔHf, kcal/mol:

-52.45

Dipole, Da:

4.41

IP(EA), eV:

 -8.06(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[(1S,12S,15R,16S,17S,20S)-17-hydroxy-1,16,20-trimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-16-yl]prop-2-enal

Drug info:

PubChemData

Smile

CC(C=O)[C@@H]1CC[C@H]2CC3=C4[C@@]2([C@]1(CCC(N4C5=CC=CC=C35)O)C)C

DOS

IR

Vibrations