Geometry & MOs

Info

ID:	11601
PubChem CID:	118108
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	5.26
IP(EA), eV:	-9.79(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methylpropyl)cyclohexen-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CCC(CC1)CC(C)C)C(=O)O

DOS

IR

Vibrations