Geometry & MOs

Info

ID:	111138
PubChem CID:	50353518
Reduced:	O4N5C31H43 (1)
Stoich.:	A4B5C31D43 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-178.61
Dipole, Da:	5.16
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations