Geometry & MOs

Info

ID:	313702
PubChem CID:	126617304
Reduced:	ClFSO3N6H18C24 (1)
Stoich.:	ABCD3E6F18G24 (1)
Weight, g/mol:	307.086938
ΔH_f, kcal/mol:	-25.64
Dipole, Da:	6.24
IP(EA), eV:	-9.07(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NCC(C5=CC=NC=C5)O)Cl)F

DOS

IR

Vibrations