Geometry & MOs

Info

ID:	398011
PubChem CID:	135031352
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	324.136159
ΔH_f, kcal/mol:	32.29
Dipole, Da:	4.07
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-ethyl-5-[(E)-3-hydroxyprop-1-enyl]-1-benzofuran-2-yl]-3-methoxyphenol

Drug info:

PubChemData

Smile

C1CN2[C@@H](CN(CN2C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations