Geometry & MOs

Info

ID:	223489
PubChem CID:	85335116
Reduced:	Cl2N2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	385.121149
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	2.2
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3,4-dichlorophenyl)-2-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CN1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)Cl)C=NOCC(=O)OC

DOS

IR

Vibrations