Geometry & MOs

Info

ID:	253623
PubChem CID:	103119630
Reduced:	FO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	288.041403
ΔH_f, kcal/mol:	23.05
Dipole, Da:	5.95
IP(EA), eV:	-7.62(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-hydroxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=O)C2=CNN3C2=CNC=C3)C(=CC1=O)F

DOS

IR

Vibrations