Geometry & MOs

Info

ID:	175277
PubChem CID:	75878183
Reduced:	BrClN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	345.088019
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	3.18
IP(EA), eV:	-8.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(dimethylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=C1Cl)NC(=O)C=CC2=CC=C(O2)Br

DOS

IR

Vibrations