Geometry & MOs

Info

ID:	106913
PubChem CID:	50181140
Reduced:	ClO4N5C29H36 (1)
Stoich.:	AB4C5D29E36 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-163.64
Dipole, Da:	6.14
IP(EA), eV:	-8.83(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations