Geometry & MOs

Info

ID:	243641
PubChem CID:	99233588
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	458.12165
ΔH_f, kcal/mol:	-178.22
Dipole, Da:	5.43
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(C(=O)N2)C(=O)N3CCC[C@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations