Geometry & MOs

Info

ID:	244515
PubChem CID:	99356337
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	492.174373
ΔH_f, kcal/mol:	-163.01
Dipole, Da:	7.8
IP(EA), eV:	-8.54(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@@H]2C(=O)N

DOS

IR

Vibrations