Geometry & MOs

Info

ID:	338654
PubChem CID:	127259665
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	8.47
IP(EA), eV:	-9.31(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-cyanobenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C\C1=CC=C(C=C1)C#N)/NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations