Geometry & MOs

Info

ID:	387229
PubChem CID:	134984505
Reduced:	Br2N4H6O7C8 (1)
Stoich.:	A2B4C6D7E8 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	5.17
IP(EA), eV:	-10.73(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-chlorophenyl)-3-methylazetidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCO[N+](=O)[O-])[N+](=O)[O-])Br)Br

DOS

IR

Vibrations