Geometry & MOs

Info

ID:	268820
PubChem CID:	103601093
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	3.29
IP(EA), eV:	-8.85(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dimethylphenoxy)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OCCC#N

DOS

IR

Vibrations