Geometry & MOs

Info

ID:	407418
PubChem CID:	135080045
Reduced:	NO7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-265.5
Dipole, Da:	4.55
IP(EA), eV:	-10.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-cyano-2-(4-methoxyphenyl)ethenyl]amino]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNC(C1=CC=CC=C1)C(=O)O)C(=O)OC(=O)C

DOS

IR

Vibrations