Geometry & MOs

Info

ID:	190073
PubChem CID:	77950120
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	453.215138
ΔH_f, kcal/mol:	25.17
Dipole, Da:	6.11
IP(EA), eV:	-8.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(2-hydroxy-3-phenylpropoxy)-4-methyl-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1C(NC2=CC=CC=C12)CN(C)C(=O)C=CC3=CN=C(C=C3)N

DOS

IR

Vibrations