Geometry & MOs

Info

ID:	254113
PubChem CID:	103122810
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	315.98211
ΔH_f, kcal/mol:	-14.58
Dipole, Da:	5.05
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=C3C=CC=CN3N=C2)CCl

DOS

IR

Vibrations