Geometry & MOs

Info

ID:	265192
PubChem CID:	103513084
Reduced:	OH2N2C4 (2)
Stoich.:	AB2C2D4 (2)
Weight, g/mol:	219.045547
ΔH_f, kcal/mol:	22.14
Dipole, Da:	3.37
IP(EA), eV:	-9.99(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(=O)N=C=O)C=N1

DOS

IR

Vibrations