Geometry & MOs

Info

ID:	167959
PubChem CID:	74906190
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	4.8
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[benzyl(2-cyanoethyl)amino]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=CC(=O)N(CCC(=O)OCC)CC2=CC=CC=C2

DOS

IR

Vibrations