Geometry & MOs

Info

ID:	9632
PubChem CID:	91789
Reduced:	ON2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	251.212338
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	1.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750945
Charge, e:	1

Chem-info

IUPAC name:

[3-(N-ethyl-3-methylanilino)-2-hydroxypropyl]-trimethylazanium

Drug info:

PubChemData

Smile

CCN(CC(C[N+](C)(C)C)O)C1=CC=CC(=C1)C

DOS

IR

Vibrations