Geometry & MOs

Info

ID:	434792
PubChem CID:	135175713
Reduced:	ClF2N3O3C25H30 (1)
Stoich.:	AB2C3D3E25F30 (1)
Weight, g/mol:	505.230761
ΔH_f, kcal/mol:	-234.2
Dipole, Da:	3.29
IP(EA), eV:	-9.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminopiperidin-1-yl)-3-[4-(4-chlorophenyl)phenyl]-2-(cyclohexylmethoxyamino)-3,3-difluoropropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(F)F)N

DOS

IR

Vibrations