Geometry & MOs

Info

ID:	243656
PubChem CID:	99233710
Reduced:	FO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-162.3
Dipole, Da:	4.93
IP(EA), eV:	-9.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[3-(naphthalene-2-carbonylamino)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations