Geometry & MOs

Info

ID:

14551

PubChem CID:

414523

Reduced:

ClNO2C13H19 (1)

Stoich.:

ABC2D13E19 (1)

Weight, g/mol:

256.110432

ΔHf, kcal/mol:

-44.9

Dipole, Da:

14.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.061299

Charge, e:

 1

Chem-info

IUPAC name:

2-benzoyloxyethyl-(2-chloroethyl)-dimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(CCOC(=O)C1=CC=CC=C1)CCCl

DOS

IR

Vibrations