Geometry & MOs

Info

ID:	1183
PubChem CID:	3925
Reduced:	ON2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	263.212338
ΔH_f, kcal/mol:	-28.33
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754503
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C

DOS

IR

Vibrations