Geometry & MOs

Info

ID:	21945
PubChem CID:	594020
Reduced:	O2C25H38 (1)
Stoich.:	A2B25C38 (1)
Weight, g/mol:	370.28718
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	1.99
IP(EA), eV:	-9.3(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylcyclohexyl) 4-hexylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations