Geometry & MOs

Info

ID:	391054
PubChem CID:	135002522
Reduced:	NF3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	417.194008
ΔH_f, kcal/mol:	-225.05
Dipole, Da:	9.73
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4,6-dimethoxy-3-phenoxy-3-phenyl-2-benzofuran-1-imine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C=C[C@@H]1C2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations