Geometry & MOs

Info

ID:	53416
PubChem CID:	14714949
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	5.63
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-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=CC=C2O)C(C(=O)O)N)C3=CC=CC=C3

DOS

IR

Vibrations