Geometry & MOs

Info

ID:	313729
PubChem CID:	126617350
Reduced:	ClFSO2N6H24C28 (1)
Stoich.:	ABCD2E6F24G28 (1)
Weight, g/mol:	395.138225
ΔH_f, kcal/mol:	12.33
Dipole, Da:	6.36
IP(EA), eV:	-8.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1NC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl)CC6=CC=CC=C6

DOS

IR

Vibrations