Geometry & MOs

Info

ID:	61447
PubChem CID:	26709474
Reduced:	ON2F3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	427.259683
ΔH_f, kcal/mol:	-178.99
Dipole, Da:	6.09
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations