Geometry & MOs

Info

ID:	178869
PubChem CID:	76393564
Reduced:	FO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	3.67
IP(EA), eV:	-8.54(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-ethoxyprop-1-enyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)C(=C2CCNC(C2)OC3=CC(=CC=C3)F)N=O

DOS

IR

Vibrations