Geometry & MOs

Info

ID:	164285
PubChem CID:	74382712
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-9.67
Dipole, Da:	3.81
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(1-phenylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)O)C#N

DOS

IR

Vibrations