Geometry & MOs

Info

ID:	187215
PubChem CID:	77545170
Reduced:	Cl2N2O3C26H32 (1)
Stoich.:	A2B2C3D26E32 (1)
Weight, g/mol:	343.074199
ΔH_f, kcal/mol:	-142.06
Dipole, Da:	5.1
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,4-dichlorophenyl)-7-(ethoxymethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C(C)C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations