Geometry & MOs

Info

ID:	221689
PubChem CID:	85285976
Reduced:	SN2O7C32H38 (1)
Stoich.:	AB2C7D32E38 (1)
Weight, g/mol:	593.38074
ΔH_f, kcal/mol:	-206.85
Dipole, Da:	4.17
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzoyloxycyclohexyl)methyl-dimethyl-octadecylazanium;bromide

Drug info:

PubChemData

Smile

CCCN(CCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations