Geometry & MOs

Info

ID:	393620
PubChem CID:	135021293
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-11.04
Dipole, Da:	4.24
IP(EA), eV:	-8.82(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3Z)-4-(cyanomethyl)-3-(cyanomethylidene)cyclohexane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C[C@@](C2=CC=CC=C21)(C)CCC#N

DOS

IR

Vibrations