Geometry & MOs

Info

ID:	122498
PubChem CID:	50809161
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	3.26
IP(EA), eV:	-9.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(=O)N2CCCC2C3=CC(=NO3)C(C)C

DOS

IR

Vibrations