Geometry & MOs

Info

ID:	122494
PubChem CID:	50809079
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	336.104084
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	6.67
IP(EA), eV:	-8.61(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)N2CCCC2C3=C(ON=C3C)C

DOS

IR

Vibrations