Geometry & MOs

Info

ID:	93223
PubChem CID:	49992585
Reduced:	N4O5C31H40 (1)
Stoich.:	A4B5C31D40 (1)
Weight, g/mol:	558.216446
ΔH_f, kcal/mol:	-195.09
Dipole, Da:	8.9
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations