Geometry & MOs

Info

ID:	173019
PubChem CID:	75585764
Reduced:	BrNO4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-160.84
Dipole, Da:	6.03
IP(EA), eV:	-9.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-(methylamino)benzoate

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)COC(=O)COC3=CC(=CC=C3)Br)C)C

DOS

IR

Vibrations