Geometry & MOs

Info

ID:	243646
PubChem CID:	99233612
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	458.25292
ΔH_f, kcal/mol:	-180.06
Dipole, Da:	5.82
IP(EA), eV:	-9.08(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations