Geometry & MOs

Info

ID:	186369
PubChem CID:	77425544
Reduced:	FO3N4C35H41 (1)
Stoich.:	AB3C4D35E41 (1)
Weight, g/mol:	559.284635
ΔH_f, kcal/mol:	-130.37
Dipole, Da:	5.51
IP(EA), eV:	-8.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethoxyphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=CC=C5)N6CCOCC6

DOS

IR

Vibrations