Geometry & MOs

Info

ID:	403672
PubChem CID:	135061245
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	340.276616
ΔH_f, kcal/mol:	8.51
Dipole, Da:	1.57
IP(EA), eV:	-8.95(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7R)-7-cyclohexyl-6-oct-1-en-2-yltricyclo[5.2.1.01,5]dec-5-en-8-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C3=C(C=NC=C3)N(C2=O)C)C

DOS

IR

Vibrations