Geometry & MOs

Info

ID:	253716
PubChem CID:	103120174
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	1.49
Dipole, Da:	3.1
IP(EA), eV:	-9.61(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(CNC(=O)C2=C3C=NC=CN3N=C2)O

DOS

IR

Vibrations