Geometry & MOs

Info

ID:	432727
PubChem CID:	135172864
Reduced:	ClC16H27 (1)
Stoich.:	AB16C27 (1)
Weight, g/mol:	312.157288
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	2.51
IP(EA), eV:	-8.63(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butoxycarbonyl-5-ethoxycarbonyl-4-methylcyclohex-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C/C(=C/C=C(\C)/C(C)C)/C(=C)C)CCl

DOS

IR

Vibrations