Geometry & MOs

Info

ID:	28737
PubChem CID:	829253
Reduced:	OSN2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	2.6
IP(EA), eV:	-7.86(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)C[C@H](CN1C2=CC=CC=C2SC3=CC=CC=C31)O

DOS

IR

Vibrations