Geometry & MOs

Info

ID:	253408
PubChem CID:	103118202
Reduced:	ON5H9C13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	330.01162
ΔH_f, kcal/mol:	91.58
Dipole, Da:	1.51
IP(EA), eV:	-8.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)OC(=N2)C3=C4C=NC=CN4N=C3)N

DOS

IR

Vibrations