Geometry & MOs

Info

ID:	390988
PubChem CID:	135002059
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-44.46
Dipole, Da:	3.57
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-phenoxy-3-propan-2-yl-2-benzofuran-1-imine

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C(=NC(C)(C)C)O1)OC3=CC=CC=C3

DOS

IR

Vibrations