Geometry & MOs

Info

ID:	253421
PubChem CID:	103118336
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	331.00687
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	3.68
IP(EA), eV:	-9.66(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-4-methylpyridin-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)CN2C(=C(N=N2)C(=O)OC)CCN

DOS

IR

Vibrations