Geometry & MOs

Info

ID:	405693
PubChem CID:	135075014
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	4.29
IP(EA), eV:	-10.06(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(cyanomethylidene)pentanedioate

Drug info:

PubChemData

Smile

CC1(C[C@@H](CC(=O)C1)CC(=O)OC)C

DOS

IR

Vibrations