Geometry & MOs

Info

ID:	175149
PubChem CID:	75862558
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	357.209065
ΔH_f, kcal/mol:	66.67
Dipole, Da:	16.93
IP(EA), eV:	-3.97(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(3-fluorophenyl)carbamoyl]piperidin-3-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2CC[NH+](CC2)C)[NH2+]CC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations