Geometry & MOs

Info

ID:	251030
PubChem CID:	103100965
Reduced:	F2O2N3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	239.138225
ΔH_f, kcal/mol:	-162.94
Dipole, Da:	4.03
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-amino-2-oxoethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=C(C=C1N)F)F

DOS

IR

Vibrations