Geometry & MOs

Info

ID:	142449
PubChem CID:	53035213
Reduced:	OSN2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	26.5
Dipole, Da:	1.88
IP(EA), eV:	-8.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C=NC3=C(C2=O)SC=C3C4=CC=CC=C4C)C

DOS

IR

Vibrations