Geometry & MOs

Info

ID:	111559
PubChem CID:	50372583
Reduced:	FO5N6C39H47 (1)
Stoich.:	AB5C6D39E47 (1)
Weight, g/mol:	490.294391
ΔH_f, kcal/mol:	-236.02
Dipole, Da:	8.57
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations