Geometry & MOs

Info

ID:	19489
PubChem CID:	565489
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-93.97
Dipole, Da:	5.05
IP(EA), eV:	-9.06(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC2=C1CCC2C)C(=C)C(=O)O

DOS

IR

Vibrations