Geometry & MOs

Info

ID:	14544
PubChem CID:	414194
Reduced:	NOC12H20 (1)
Stoich.:	ABC12D20 (1)
Weight, g/mol:	194.154489
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	2.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141659
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxyethyl-dimethyl-[(2-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[N+](C)(C)CCO

DOS

IR

Vibrations