Geometry & MOs

Info

ID:	91178
PubChem CID:	49973887
Reduced:	N4O5C28H36 (1)
Stoich.:	A4B5C28D36 (1)
Weight, g/mol:	512.219033
ΔH_f, kcal/mol:	-178.08
Dipole, Da:	12.09
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations