Geometry & MOs

Info

ID:	93835
PubChem CID:	49997087
Reduced:	O4N5C35H49 (1)
Stoich.:	A4B5C35D49 (1)
Weight, g/mol:	482.269319
ΔH_f, kcal/mol:	-189.76
Dipole, Da:	3.97
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations