Geometry & MOs

Info

ID:	58870
PubChem CID:	24715001
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	4.08
IP(EA), eV:	-8.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2

DOS

IR

Vibrations