Geometry & MOs

Info

ID:	42060
PubChem CID:	8149044
Reduced:	ClN5O5H8C13 (1)
Stoich.:	AB5C5D8E13 (1)
Weight, g/mol:	375.140533
ΔH_f, kcal/mol:	-16.28
Dipole, Da:	9.3
IP(EA), eV:	-9.89(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C(=O)NC=N3)[N+](=O)[O-])Cl

DOS

IR

Vibrations