Geometry & MOs

Info

ID:	397924
PubChem CID:	135030995
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	2.86
IP(EA), eV:	-9.74(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-nitro-1-phenylethyl]-4-propan-2-yl-2H-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C=CCN1C[C@@H]([C@@]2(C1=O)CCCCC2=O)CCl

DOS

IR

Vibrations