Geometry & MOs

Info

ID:	53810
PubChem CID:	14718015
Reduced:	NOC7H18 (1)
Stoich.:	ABC7D18 (1)
Weight, g/mol:	211.133907
ΔH_f, kcal/mol:	-32.81
Dipole, Da:	1.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750709
Charge, e:	0

Chem-info

IUPAC name:

bis(2-hydroxyethyl)-methyl-(2-methylpropyl)azanium;chloride

Drug info:

PubChemData

Smile

CC(C[N+](C)(C)C)CO

DOS

IR

Vibrations