Geometry & MOs

Info

ID:	142448
PubChem CID:	53035211
Reduced:	OSN2H18C21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	360.129634
ΔH_f, kcal/mol:	40.34
Dipole, Da:	2.08
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CSC3=C2N=CN(C3=O)CCC4=CC=CC=C4

DOS

IR

Vibrations