Geometry & MOs

Info

ID:	151222
PubChem CID:	53790922
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	379.251129
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	1.76
IP(EA), eV:	-10.31(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-ethylpyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1(CO1)C2OO2

DOS

IR

Vibrations