Geometry & MOs

Info

ID:	90139
PubChem CID:	49966708
Reduced:	O4N5C30H39 (1)
Stoich.:	A4B5C30D39 (1)
Weight, g/mol:	524.255419
ΔH_f, kcal/mol:	-162.32
Dipole, Da:	4.54
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations