Geometry & MOs

Info

ID:	393063
PubChem CID:	135019180
Reduced:	ClBr3O4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	467.082177
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	2.24
IP(EA), eV:	-8.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=C(C(=C2Cl)CBr)CBr)C3=CC4=C(C=C3CBr)OCO4)OC

DOS

IR

Vibrations