Geometry & MOs

Info

ID:

50058

PubChem CID:

11539085

Reduced:

NO2C29H29 (1)

Stoich.:

AB2C29D29 (1)

Weight, g/mol:

423.31373

ΔHf, kcal/mol:

11.58

Dipole, Da:

2.13

IP(EA), eV:

 -8.96(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1S,2S,4S,8S,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-3-methylpentanenitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)/C=C/2\C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

DOS

IR

Vibrations