Geometry & MOs

Info

ID:	174763
PubChem CID:	75812106
Reduced:	FO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	289.227989
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	2.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111497
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC2=CC=C(C=C2)CNC(=O)CNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations