Geometry & MOs

Info

ID:	254080
PubChem CID:	103122565
Reduced:	ClO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	286.062139
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	1.51
IP(EA), eV:	-9.64(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations