Geometry & MOs

Info

ID:	164799
PubChem CID:	74454934
Reduced:	NO2C12H22 (2)
Stoich.:	AB2C12D22 (2)
Weight, g/mol:	369.163674
ΔH_f, kcal/mol:	-148.37
Dipole, Da:	13.4
IP(EA), eV:	-6.02(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)[NH+](CCOC)CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCCCC2)O

DOS

IR

Vibrations