Geometry & MOs

Info

ID:	247501
PubChem CID:	103071944
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	3.44
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(tert-butylamino)methyl]prop-2-enyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C(=CSC1=O)C

DOS

IR

Vibrations