Geometry & MOs

Info

ID:	45390
PubChem CID:	10512598
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	210.046299
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	1.13
IP(EA), eV:	-7.9(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,6-trimethylthieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(C2=C1C=C(C=C2)OC)CC=C

DOS

IR

Vibrations