Geometry & MOs

Info

ID:	141885
PubChem CID:	52945465
Reduced:	NO5C36H57 (1)
Stoich.:	AB5C36D57 (1)
Weight, g/mol:	473.246713
ΔH_f, kcal/mol:	-305.1
Dipole, Da:	5.0
IP(EA), eV:	-9.4(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methoxy-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-imine

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CCN)C)C)[C@@H]2C1)C)C)C

DOS

IR

Vibrations