Geometry & MOs

Info

ID:	182946
PubChem CID:	76961174
Reduced:	BrNOC16H20 (2)
Stoich.:	ABCD16E20 (2)
Weight, g/mol:	381.16673
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	6.65
IP(EA), eV:	-8.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol;bromide

Drug info:

PubChemData

Smile

C1C[C@@H]2CCC3=[N+]([C@H]2C1)CCC4=C3C=CC(=C4)O.C1C[C@H]2CCC3=[N+]([C@@H]2C1)CCC4=C3C=CC(=C4)O.[Br-].[Br-]

DOS

IR

Vibrations