Geometry & MOs

Info

ID:	53418
PubChem CID:	14714951
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	-93.11
Dipole, Da:	5.48
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations