Geometry & MOs

Info

ID:	340484
PubChem CID:	127262495
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	247.059306
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	2.28
IP(EA), eV:	-8.57(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-4-nitrophenyl) azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)N2C=CCC=C2)C

DOS

IR

Vibrations