Geometry & MOs

Info

ID:	379588
PubChem CID:	134448064
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	402.200651
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	0.4
IP(EA), eV:	-9.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethoxy)-7-[(2,3-dimethyl-4-propylphenoxy)methyl]-2-propyl-1-benzofuran

Drug info:

PubChemData

Smile

CC(C1=CSC=N1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations