Geometry & MOs

Info

ID:	141259
PubChem CID:	52848534
Reduced:	ClN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	375.276001
ΔH_f, kcal/mol:	-131.16
Dipole, Da:	5.05
IP(EA), eV:	-9.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[butyl(ethyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@]2(C(=O)N(C(=O)N2)CCCOC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations