Geometry & MOs

Info

ID:	7187
PubChem CID:	71491
Reduced:	BrNO4C24H30 (1)
Stoich.:	ABC4D24E30 (1)
Weight, g/mol:	475.13582
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	11.23
IP(EA), eV:	-7.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide

Drug info:

PubChemData

Smile

C[N+]1(C2CC(CC1C(C2)OC)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

DOS

IR

Vibrations