Geometry & MOs

Info

ID:	374811
PubChem CID:	131347757
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	305.94068
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	2.18
IP(EA), eV:	-9.04(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-azetidin-2-yl]-3-bromo-4-chloro-2-nitrophenol

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C(C(C)C)N)C2CCCC2

DOS

IR

Vibrations