Geometry & MOs

Info

ID:	415184
PubChem CID:	135088175
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	382.092204
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	9.85
IP(EA), eV:	-7.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-(4-methyl-7-methylsulfanylquinolin-2-yl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)C2=N/C(=C/3\C=CC=CC3=O)/NC(=C2)C

DOS

IR

Vibrations