Geometry & MOs

Info

ID:	253425
PubChem CID:	103118361
Reduced:	BrON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	330.01162
ΔH_f, kcal/mol:	32.63
Dipole, Da:	4.5
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)C)Br

DOS

IR

Vibrations