Geometry & MOs

Info

ID:	5006
PubChem CID:	12427
Reduced:	ClN2O2C16H27 (1)
Stoich.:	AB2C2D16E27 (1)
Weight, g/mol:	314.176106
ΔH_f, kcal/mol:	-109.94
Dipole, Da:	6.06
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CCC(C[NH+](C)C)(CN(C)C)OC(=O)C1=CC=CC=C1.[Cl-]

DOS

IR

Vibrations