Geometry & MOs

Info

ID:	194057
PubChem CID:	78475016
Reduced:	O2N3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	380.24975
ΔH_f, kcal/mol:	3.16
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.989116
Charge, e:	2

Chem-info

IUPAC name:

1-[3-(benzenesulfonyl)-2-(4-methylpiperidin-1-ium-1-yl)propyl]-4-methylpiperidin-1-ium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C34C5=CC=CC=C5NC4=O

DOS

IR

Vibrations