Geometry & MOs

Info

ID:	9631
PubChem CID:	91788
Reduced:	ClON2C15H27 (1)
Stoich.:	ABC2D15E27 (1)
Weight, g/mol:	286.181191
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	10.52
IP(EA), eV:	-8.47(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations