Geometry & MOs

Info

ID:	95258
PubChem CID:	50007569
Reduced:	O5N6C35H48 (1)
Stoich.:	A5B6C35D48 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-226.97
Dipole, Da:	6.13
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C)NC(=O)C

DOS

IR

Vibrations