Geometry & MOs

Info

ID:	53415
PubChem CID:	14714948
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	6.7
IP(EA), eV:	-8.86(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-hydroxyphenyl)-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)[N+](=O)[O-])C(C(=O)O)N)C3=CC=CC=C3

DOS

IR

Vibrations