Geometry & MOs

Info

ID:	178310
PubChem CID:	76310164
Reduced:	Cl2O3N4C31H40 (1)
Stoich.:	A2B3C4D31E40 (1)
Weight, g/mol:	598.308597
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	9.8
IP(EA), eV:	-9.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations