Geometry & MOs

Info

ID:	173262
PubChem CID:	75611700
Reduced:	F2O3N4H16C19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	489.299142
ΔH_f, kcal/mol:	-65.92
Dipole, Da:	1.12
IP(EA), eV:	-9.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(2-phenylbutanoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CCCC(=O)ON=C(C3=CC=C(C=C3)F)N)F

DOS

IR

Vibrations