Geometry & MOs

Info

ID:

165115

PubChem CID:

74502203

Reduced:

NS2O8H14C20 (1)

Stoich.:

AB2C8D14E20 (1)

Weight, g/mol:

158.154489

ΔHf, kcal/mol:

-210.84

Dipole, Da:

1.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.970300

Charge, e:

 1

Chem-info

IUPAC name:

2-(1-ethylpiperidin-1-ium-2-yl)ethanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-])C(=O)OC

DOS

IR

Vibrations