Geometry & MOs

Info

ID:	406306
PubChem CID:	135077160
Reduced:	IMgNO2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	307.093247
ΔH_f, kcal/mol:	848.41
Dipole, Da:	5.33
IP(EA), eV:	-5.24(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azido-2-(2-phenylethyl)-4-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=C1C=C[C-]=C2.[Mg+2].[I-]

DOS

IR

Vibrations