Geometry & MOs

Info

ID:	7188
PubChem CID:	71492
Reduced:	NO4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	396.217483
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750952
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations