Geometry & MOs

Info

ID:	42780
PubChem CID:	8149994
Reduced:	OS2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	389.156184
ΔH_f, kcal/mol:	33.89
Dipole, Da:	4.06
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethylanilino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations