Geometry & MOs

Info

ID:	62634
PubChem CID:	26732569
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	-78.45
Dipole, Da:	4.12
IP(EA), eV:	-9.13(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)/C#N

DOS

IR

Vibrations