Geometry & MOs

Info

ID:	137860
PubChem CID:	52273789
Reduced:	FO2N3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	369.234217
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	5.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754734
Charge, e:	1

Chem-info

IUPAC name:

1-[(2,5-dimethylphenyl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)C[NH+]1CCC(CC1)C(=O)NCCC2=CC=CC=C2F

DOS

IR

Vibrations