Geometry & MOs

Info

ID:	72
PubChem CID:	2059
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	3.05
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

DOS

IR

Vibrations