Geometry & MOs

Info

ID:	7153
PubChem CID:	71393
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	2.24
IP(EA), eV:	-8.55(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.Cl

DOS

IR

Vibrations