Geometry & MOs

Info

ID:	28018
PubChem CID:	824885
Reduced:	N3O3C11H11 (1)
Stoich.:	A3B3C11D11 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	17.44
Dipole, Da:	10.08
IP(EA), eV:	-9.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-amino-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

DOS

IR

Vibrations