Geometry & MOs

Info

ID:	133868
PubChem CID:	51605109
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	387.219629
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-acetyl-N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NNC(=C1)C(=O)N(C)C[C@@H]2CCCN(C2)CCC3=CC=CC=C3F

DOS

IR

Vibrations