Geometry & MOs

Info

ID:	297028
PubChem CID:	117606428
Reduced:	NO3C19H34 (2)
Stoich.:	AB3C19D34 (2)
Weight, g/mol:	417.222784
ΔH_f, kcal/mol:	-369.84
Dipole, Da:	2.68
IP(EA), eV:	-9.9(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[(1R)-1-(2,4-difluoro-3-phenoxyphenyl)-2-piperidin-4-ylethyl]amino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCCCCCCOC(=O)C(C(C)C)NC(=O)CCCCCCCCC=C)NC(=O)CCCCCCCCC=C

DOS

IR

Vibrations