Geometry & MOs

Info

ID:	146632
PubChem CID:	53721244
Reduced:	NO3H5C6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	360.051299
ΔH_f, kcal/mol:	-148.87
Dipole, Da:	6.19
IP(EA), eV:	-9.84(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[[2-methyl-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)O

DOS

IR

Vibrations