Geometry & MOs

Info

ID:	313744
PubChem CID:	126617391
Reduced:	SO3N5H23C26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	322.097837
ΔH_f, kcal/mol:	12.65
Dipole, Da:	9.63
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC3=NC(=O)C4=C(N3)C(=NC=C4)C5=CSC(=N5)NCCO

DOS

IR

Vibrations