Geometry & MOs

Info

ID:	29068
PubChem CID:	831408
Reduced:	BrON2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	37.33
Dipole, Da:	0.74
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)N=C1

DOS

IR

Vibrations