Geometry & MOs

Info

ID:	420260
PubChem CID:	135112116
Reduced:	N2O2C7H9 (2)
Stoich.:	A2B2C7D9 (2)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	9.05
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCCN2C=NC=N2)OC)OC

DOS

IR

Vibrations