Geometry & MOs

Info

ID:	71
PubChem CID:	2058
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	5.65
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations