Geometry & MOs

Info

ID:	127504
PubChem CID:	51004443
Reduced:	INO2C25H36 (1)
Stoich.:	ABC2D25E36 (1)
Weight, g/mol:	382.274604
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	12.86
IP(EA), eV:	-7.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,5R)-8-methyl-8-(2-methylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[N+]1([C@@H]2CC[C@@H]1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)C.[I-]

DOS

IR

Vibrations