Geometry & MOs

Info

ID:

175314

PubChem CID:

75881712

Reduced:

SN2O2C20H27 (1)

Stoich.:

AB2C2D20E27 (1)

Weight, g/mol:

349.249118

ΔHf, kcal/mol:

-18.55

Dipole, Da:

2.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.980287

Charge, e:

 1

Chem-info

IUPAC name:

3,4-diethoxy-N-[2-(3-methylpiperidin-1-ium-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)C=CC1=CC=CC=C1OC)C2=CSC=C2

DOS

IR

Vibrations