Geometry & MOs

Info

ID:	53413
PubChem CID:	14714945
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	382.12772
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	3.38
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-3-(3-nitrophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C(=O)O)N)C3=CC=CC=C3

DOS

IR

Vibrations