Geometry & MOs

Info

ID:	254087
PubChem CID:	103122593
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	300.077789
ΔH_f, kcal/mol:	-16.9
Dipole, Da:	1.7
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CCl)NC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations