Geometry & MOs

Info

ID:	22401
PubChem CID:	597155
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-150.34
Dipole, Da:	2.61
IP(EA), eV:	-8.53(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butoxyphenyl) 4-propylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC

DOS

IR

Vibrations