Geometry & MOs

Info

ID:	299209
PubChem CID:	117679563
Reduced:	O5C9H14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	464.201275
ΔH_f, kcal/mol:	-181.28
Dipole, Da:	3.28
IP(EA), eV:	-10.5(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C#CCC[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O

DOS

IR

Vibrations