Geometry & MOs

Info

ID:	254847
PubChem CID:	103128128
Reduced:	BrN5H12C13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	331.04326
ΔH_f, kcal/mol:	108.95
Dipole, Da:	1.53
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-3-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)CC(C2=C3C=NC=CN3N=C2)N

DOS

IR

Vibrations