Geometry & MOs

Info

ID:	3466
PubChem CID:	9693
Reduced:	ClNO2C14H26 (1)
Stoich.:	ABC2D14E26 (1)
Weight, g/mol:	275.165207
ΔH_f, kcal/mol:	-123.43
Dipole, Da:	10.59
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)propyl-trimethylazanium;chloride;hydrate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OC(C)C[N+](C)(C)C.O.[Cl-]

DOS

IR

Vibrations