Geometry & MOs

Info

ID:	41143
PubChem CID:	8145353
Reduced:	OSN5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	56.65
Dipole, Da:	4.07
IP(EA), eV:	-8.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)CC4=CC=CC=C4)C

DOS

IR

Vibrations