Geometry & MOs

Info

ID:	19575
PubChem CID:	568020
Reduced:	ON2C29H40 (1)
Stoich.:	AB2C29D40 (1)
Weight, g/mol:	432.314064
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	3.99
IP(EA), eV:	-8.59(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dibenzyl-3,7-ditert-butyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CC2(CN(CC(C1)(C2=O)CC3=CC=CC=C3)C(C)(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations