Geometry & MOs

Info

ID:	93830
PubChem CID:	49997065
Reduced:	O4N5C37H51 (1)
Stoich.:	A4B5C37D51 (1)
Weight, g/mol:	468.253669
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	3.94
IP(EA), eV:	-9.12(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations