Geometry & MOs

Info

ID:	315750
PubChem CID:	126628667
Reduced:	OSN5H9C11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	320.00212
ΔH_f, kcal/mol:	55.04
Dipole, Da:	3.11
IP(EA), eV:	-8.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-amino-4-bromopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)C=CN=C2C3=CSC(=N3)N

DOS

IR

Vibrations