Geometry & MOs

Info

ID:	399751
PubChem CID:	135042284
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	60.21
Dipole, Da:	3.66
IP(EA), eV:	-9.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-hydroxy-12-methyltricyclo[6.2.2.01,6]dodeca-3,11-dien-10-one

Drug info:

PubChemData

Smile

CCCCCC#CC(=N)C1=CC=CC=C1

DOS

IR

Vibrations