Geometry & MOs

Info

ID:	164024
PubChem CID:	74381514
Reduced:	N2O3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	385.225308
ΔH_f, kcal/mol:	-110.08
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755019
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-phenylcycloheptanecarbonyl)oxy-1-azoniabicyclo[2.2.2]octan-1-yl]acetate

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3C[N+]4(CCC3CC4)CC(=O)N

DOS

IR

Vibrations