Geometry & MOs

Info

ID:	142446
PubChem CID:	53035103
Reduced:	OSN4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	66.38
Dipole, Da:	2.14
IP(EA), eV:	-9.88(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C2=CSC(=N2)C3=CC=NC=C3

DOS

IR

Vibrations