Geometry & MOs

Info

ID:	29069
PubChem CID:	831417
Reduced:	N3O4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	3.95
IP(EA), eV:	-9.97(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations