Geometry & MOs

Info

ID:	313755
PubChem CID:	126617423
Reduced:	ON5H13C17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	305.102508
ΔH_f, kcal/mol:	90.71
Dipole, Da:	8.07
IP(EA), eV:	-9.24(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations