Geometry & MOs

Info

ID:	147146
PubChem CID:	53786799
Reduced:	BrO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-123.21
Dipole, Da:	1.94
IP(EA), eV:	-10.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-7-bicyclo[4.1.0]hept-3-enyl)acetic acid

Drug info:

PubChemData

Smile

CCC(C)(CCBr)CC(=O)OC

DOS

IR

Vibrations