Geometry & MOs

Info

ID:	415221
PubChem CID:	135088213
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	379.154349
ΔH_f, kcal/mol:	-78.29
Dipole, Da:	3.7
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-3,4-dihydroxypiperidin-1-yl]-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)OC=C2CC(=O)N3C[C@@H]4COC[C@H](C3)N(C4=O)C)C

DOS

IR

Vibrations