Geometry & MOs

Info

ID:	31753
PubChem CID:	3713471
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	464.197904
ΔH_f, kcal/mol:	-16.98
Dipole, Da:	4.02
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-hydroxy-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]indol-3-yl]iminobenzamide

Drug info:

PubChemData

Smile

C1CC2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations