Geometry & MOs

Info

ID:	379967
PubChem CID:	134964409
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-114.9
Dipole, Da:	2.46
IP(EA), eV:	-8.83(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-6-(2-oxoethyl)-4-propan-2-ylcyclohex-2-ene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCCO2)CO

DOS

IR

Vibrations