Geometry & MOs

Info

ID:	294705
PubChem CID:	117484268
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	5.56
IP(EA), eV:	-9.52(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cycloheptylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C2=CC(=CC=C2)C3(CCCC3)C(=O)O)C

DOS

IR

Vibrations