Geometry & MOs

Info

ID:	20944
PubChem CID:	586336
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-104.15
Dipole, Da:	2.35
IP(EA), eV:	-9.24(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-(1-methoxycyclopropyl)-3,3,5,8,10,10-hexamethyltricyclo[6.2.2.02,7]dodeca-5,11-dien-9-one

Drug info:

PubChemData

Smile

CC1=CC2C(C3C=CC2(C(=O)C3(C)C)C)C(C1(C4(CC4)OC)O)(C)C

DOS

IR

Vibrations