Geometry & MOs

Info

ID:	41115
PubChem CID:	8145277
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-82.35
Dipole, Da:	3.52
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations