Geometry & MOs

Info

ID:	164286
PubChem CID:	74382713
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	398.06299
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	5.28
IP(EA), eV:	-9.7(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-(1-phenylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

DOS

IR

Vibrations