Geometry & MOs

Info

ID:	169221
PubChem CID:	75076283
Reduced:	NO6C13H13 (1)
Stoich.:	AB6C13D13 (1)
Weight, g/mol:	241.06697
ΔH_f, kcal/mol:	-149.0
Dipole, Da:	6.02
IP(EA), eV:	-10.66(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(2-fluorophenyl)-1-propylazetidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=C(C=CC(=C1)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations