Geometry & MOs

Info

ID:	49853
PubChem CID:	11533958
Reduced:	FN4O4C30H41 (1)
Stoich.:	AB4C4D30E41 (1)
Weight, g/mol:	540.317435
ΔH_f, kcal/mol:	-209.17
Dipole, Da:	2.86
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[3-(2-thiophen-2-ylethynyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCC(CC1)(C2=CC(=CC=C2)F)N(C)C)NC(=O)CNC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations