Geometry & MOs

Info

ID:	402492
PubChem CID:	135056184
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	-120.66
Dipole, Da:	4.03
IP(EA), eV:	-8.82(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-methoxy-3-phenoxy-3-phenyl-2-benzofuran-1-imine

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)[C@](N1)(C)C2=NC(=C(O2)N3CCOCC3)CC4=CC=CC=C4

DOS

IR

Vibrations