Geometry & MOs

Info

ID:	42234
PubChem CID:	8149336
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	382.195309
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	2.92
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)C

DOS

IR

Vibrations