Geometry & MOs

Info

ID:	188430
PubChem CID:	77716749
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	534.220469
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	4.55
IP(EA), eV:	-8.96(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dichlorophenyl)-3-[1-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1COCCN1CCCC2CC3=CC(=NC=C3NC2=O)C=CC(=O)O

DOS

IR

Vibrations