Geometry & MOs

Info

ID:	93847
PubChem CID:	49997173
Reduced:	O3N4C32H44 (1)
Stoich.:	A3B4C32D44 (1)
Weight, g/mol:	522.300619
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	3.04
IP(EA), eV:	-8.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations