Geometry & MOs

Info

ID:	420345
PubChem CID:	135112637
Reduced:	Cl2N2O4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	0.45
IP(EA), eV:	-9.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-2-yl)-[1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)COC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations