Geometry & MOs

Info

ID:	122493
PubChem CID:	50809078
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	2.27
IP(EA), eV:	-9.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCCC2C3=C(ON=C3C)C

DOS

IR

Vibrations