Geometry & MOs

Info

ID:	116541
PubChem CID:	50564922
Reduced:	ClO3N4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	524.255419
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	4.81
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations