Geometry & MOs

Info

ID:	92514
PubChem CID:	49987478
Reduced:	ClO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	540.250333
ΔH_f, kcal/mol:	-135.38
Dipole, Da:	9.43
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations