Geometry & MOs

Info

ID:	392175
PubChem CID:	135013543
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	532.14744
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	6.55
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5aS,9aS,9bR)-3'-iodo-3a,6,6,9a-tetramethyl-2'-phenoxyspiro[1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)[N+](=O)[O-])N)NC2=CC=CC=C2C(=O)C

DOS

IR

Vibrations