Geometry & MOs

Info

ID:	5770
PubChem CID:	13758
Reduced:	ClNO3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	315.160121
ΔH_f, kcal/mol:	-171.63
Dipole, Da:	6.06
IP(EA), eV:	-8.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.[Cl-]

DOS

IR

Vibrations