Geometry & MOs

Info

ID:	122487
PubChem CID:	50808807
Reduced:	ClN2S2O3C20H23 (1)
Stoich.:	AB2C2D3E20F23 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	7.16
IP(EA), eV:	-8.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations