Geometry & MOs

Info

ID:	313707
PubChem CID:	126617309
Reduced:	ON7H15C20 (1)
Stoich.:	AB7C15D20 (1)
Weight, g/mol:	308.113407
ΔH_f, kcal/mol:	140.88
Dipole, Da:	6.53
IP(EA), eV:	-8.82(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)C3=CN(N=C3)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations