Geometry & MOs

Info

ID:	254118
PubChem CID:	103122830
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	1.5
IP(EA), eV:	-9.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-chloropropan-2-yl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(CC1)Br)NC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations