Geometry & MOs

Info

ID:	131161
PubChem CID:	51167096
Reduced:	NOH5C7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	37.56
Dipole, Da:	2.29
IP(EA), eV:	-9.02(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CNC3=CC=CC=C32)OCC#N

DOS

IR

Vibrations