Geometry & MOs

Info

ID:	54479
PubChem CID:	17388747
Reduced:	BrON2C19H29 (1)
Stoich.:	ABC2D19E29 (1)
Weight, g/mol:	410.12051
ΔH_f, kcal/mol:	-42.94
Dipole, Da:	15.73
IP(EA), eV:	-7.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[methyl(phenyl)carbamoyl]-1-azoniabicyclo[2.2.2]octan-1-yl]acetate;bromide

Drug info:

PubChemData

Smile

CCCC[N+]12CCC(CC1)CC2C(=O)N(C)C3=CC=CC=C3.[Br-]

DOS

IR

Vibrations