Geometry & MOs

Info

ID:	397033
PubChem CID:	135029627
Reduced:	NO2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-2.44
Dipole, Da:	5.17
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-enyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C(=O)C1=CC=CC=C1)/C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations