Geometry & MOs

Info

ID:	254103
PubChem CID:	103122736
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	344.02727
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	1.36
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(CBr)NC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations