Geometry & MOs

Info

ID:	253124
PubChem CID:	103116197
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	10.62
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)N

DOS

IR

Vibrations