Geometry & MOs

Info

ID:	182063
PubChem CID:	76834843
Reduced:	NCl2O2C29H35 (1)
Stoich.:	AB2C2D29E35 (1)
Weight, g/mol:	393.126234
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	2.56
IP(EA), eV:	-9.53(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-(propan-2-ylamino)hexanoic acid

Drug info:

PubChemData

Smile

CCC(CCCC(=O)C)N1C(C(CC(C1=O)(C)CC=C)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations