Geometry & MOs

Info

ID:	302221
PubChem CID:	124360358
Reduced:	FO2N4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	284.209993
ΔH_f, kcal/mol:	-34.23
Dipole, Da:	4.11
IP(EA), eV:	-9.03(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-2-[[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1F)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations