Geometry & MOs

Info

ID:	442320
PubChem CID:	135251316
Reduced:	NOSC8H17 (1)
Stoich.:	ABCD8E17 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	4.83
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[2-cyano-1-(4-methoxyphenyl)ethyl]propanedioate

Drug info:

PubChemData

Smile

CC(=O)CSCCCN(C)C

DOS

IR

Vibrations