Geometry & MOs

Info

ID:	254081
PubChem CID:	103122568
Reduced:	ClON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	300.077789
ΔH_f, kcal/mol:	49.71
Dipole, Da:	2.08
IP(EA), eV:	-9.07(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chloroethyl)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCl)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations