Geometry & MOs

Info

ID:	390992
PubChem CID:	135002072
Reduced:	BrNO2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	329.118257
ΔH_f, kcal/mol:	8.47
Dipole, Da:	4.04
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(chloromethyl)-3-phenoxy-2-benzofuran-1-imine

Drug info:

PubChemData

Smile

CC(C)(C)N=C1C2=CC=CC=C2C(O1)(C3=CC=CC=C3Br)OC4=CC=CC=C4

DOS

IR

Vibrations