Geometry & MOs

Info

ID:	112002
PubChem CID:	50391177
Reduced:	O3N4C32H44 (1)
Stoich.:	A3B4C32D44 (1)
Weight, g/mol:	558.281776
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	5.45
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4C

DOS

IR

Vibrations