Geometry & MOs

Info

ID:	313699
PubChem CID:	126617301
Reduced:	ON3H6C8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	420.213455
ΔH_f, kcal/mol:	52.32
Dipole, Da:	6.63
IP(EA), eV:	-8.65(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-amino-4-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]pyrazol-1-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN(N=C2N)C3=NC=CC4=C3NC=NC4=O)O

DOS

IR

Vibrations