Geometry & MOs

Info

ID:	186318
PubChem CID:	77420287
Reduced:	BrO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	367.179696
ΔH_f, kcal/mol:	-42.39
Dipole, Da:	6.96
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C1CC(NC1)C2=NC(=C(N2)CC3OCCO3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations