Geometry & MOs

Info

ID:	106855
PubChem CID:	50179089
Reduced:	O4N5C30H39 (1)
Stoich.:	A4B5C30D39 (1)
Weight, g/mol:	518.325691
ΔH_f, kcal/mol:	-161.56
Dipole, Da:	0.86
IP(EA), eV:	-8.89(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations