Geometry & MOs

Info

ID:	369118
PubChem CID:	127331306
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	8.25
IP(EA), eV:	-9.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=NC=NC(=C12)NC(=O)CC3CCOCC3)C

DOS

IR

Vibrations