Geometry & MOs

Info

ID:	220591
PubChem CID:	85197921
Reduced:	N3O3H16C19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-5.35
Dipole, Da:	6.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033605
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-methyl-N-(2-oxo-2-phenylacetyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[N+]2=C(N=NC(=CC(=O)OC)C2=O)C3=CC=CC=C3

DOS

IR

Vibrations