Geometry & MOs

Info

ID:	254124
PubChem CID:	103122865
Reduced:	BrON3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	5.77
IP(EA), eV:	-9.7(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CBr)C(C)NC(=O)C1=NN(C=C1)C

DOS

IR

Vibrations