Geometry & MOs

Info

ID:	142450
PubChem CID:	53035214
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	346.113984
ΔH_f, kcal/mol:	56.63
Dipole, Da:	2.36
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methylphenyl)-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CSC3=C2N=CN(C3=O)CC4=CC=NC=C4

DOS

IR

Vibrations