Geometry & MOs

Info

ID:	186450
PubChem CID:	77434763
Reduced:	ClON4C17H23 (2)
Stoich.:	ABC4D17E23 (2)
Weight, g/mol:	431.12084
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	5.23
IP(EA), eV:	-8.55(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[2.2.2]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1CCC2(CC1)N=C(C(=O)N2C(CCC(C)(C)C)C3=CC=C(C=C3)C(=O)NCC(=NNN=C)N)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations