Geometry & MOs

Info

ID:	166832
PubChem CID:	74740770
Reduced:	O2N4C24H33 (1)
Stoich.:	A2B4C24D33 (1)
Weight, g/mol:	396.245116
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.166589
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)N(CCC3)C)[NH+](C)C

DOS

IR

Vibrations