Geometry & MOs

Info

ID:	19769
PubChem CID:	572384
Reduced:	O2C21H32 (1)
Stoich.:	A2B21C32 (1)
Weight, g/mol:	316.24023
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	1.5
IP(EA), eV:	-8.89(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butylphenyl) 4-butylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCC

DOS

IR

Vibrations