Geometry & MOs

Info

ID:	163511
PubChem CID:	58016332
Reduced:	ClO2N4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	433.162412
ΔH_f, kcal/mol:	8.76
Dipole, Da:	4.97
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-phenylphenyl)-3-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)C=CC3=C2NC(=C3)C(=O)NCC4=CC=NC=C4)Cl

DOS

IR

Vibrations