Geometry & MOs

Info

ID:	112488
PubChem CID:	50409385
Reduced:	N4O5C30H40 (1)
Stoich.:	A4B5C30D40 (1)
Weight, g/mol:	494.269319
ΔH_f, kcal/mol:	-182.17
Dipole, Da:	9.21
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations