Geometry & MOs

Info

ID:	142447
PubChem CID:	53035210
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	346.113984
ΔH_f, kcal/mol:	4.21
Dipole, Da:	2.07
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C=NC2=C(C1=O)SC=C2C3=CC=CC=C3C

DOS

IR

Vibrations