Geometry & MOs

Info

ID:	5548
PubChem CID:	13312
Reduced:	ClNOC20H26 (1)
Stoich.:	ABCD20E26 (1)
Weight, g/mol:	331.170292
ΔH_f, kcal/mol:	-15.86
Dipole, Da:	8.87
IP(EA), eV:	-8.67(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-(4-oxo-3,3-diphenylhexyl)azanium;chloride

Drug info:

PubChemData

Smile

CCC(=O)C(CC[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations