Geometry & MOs

Info

ID:	58872
PubChem CID:	24715005
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-97.52
Dipole, Da:	3.49
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropyl(2-hydroxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN(CC1=NC2=C(C(=C(S2)C)C)C(=O)N1)CC(C)(C)O

DOS

IR

Vibrations