Geometry & MOs

Info

ID:	338632
PubChem CID:	127259643
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	4.64
IP(EA), eV:	-9.3(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(E)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations