Geometry & MOs

Info

ID:	357128
PubChem CID:	127293354
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-25.05
Dipole, Da:	2.14
IP(EA), eV:	-9.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N(C)C3CCOC3)C

DOS

IR

Vibrations