Geometry & MOs

Info

ID:	216075
PubChem CID:	85085673
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	3.81
IP(EA), eV:	-8.97(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-propylidenecyclohexylidene)butanoate

Drug info:

PubChemData

Smile

CC1=C(C2CCC(C2(C)C)(CC1=O)C)OC

DOS

IR

Vibrations