Geometry & MOs

Info

ID:	75811
PubChem CID:	48424012
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	4.13
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CSC(=N2)C(C)(C)C)OCC3CC3

DOS

IR

Vibrations