Geometry & MOs

Info

ID:	90485
PubChem CID:	49969984
Reduced:	F3N4O4C30H37 (1)
Stoich.:	A3B4C4D30E37 (1)
Weight, g/mol:	518.325691
ΔH_f, kcal/mol:	-313.9
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations