Geometry & MOs

Info

ID:	313756
PubChem CID:	126617430
Reduced:	ON7H11C15 (1)
Stoich.:	AB7C11D15 (1)
Weight, g/mol:	257.091275
ΔH_f, kcal/mol:	107.59
Dipole, Da:	5.01
IP(EA), eV:	-8.86(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CN(N=C2N)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations