Geometry & MOs

Info

ID:	310358
PubChem CID:	126579224
Reduced:	O2Cl3N3C27H34 (1)
Stoich.:	A2B3C3D27E34 (1)
Weight, g/mol:	465.150531
ΔH_f, kcal/mol:	-87.33
Dipole, Da:	4.59
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-5-[1-[(3S)-piperidin-3-yl]piperidin-4-yl]aniline

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC2=C(C=CC(=C2)C3CCN(CC3)[C@H]4CCCN(C4)CCC(=O)O)Cl

DOS

IR

Vibrations