Geometry & MOs

Info

ID:	438920
PubChem CID:	135228681
Reduced:	O5C13H18 (2)
Stoich.:	A5B13C18 (2)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-411.61
Dipole, Da:	4.26
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(ethoxyamino)phenyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H](CO)C(CC2=CC(=C(C=C2)O)OC)CO[C@H]3C(CC([C@H](O3)CO)O)O)O

DOS

IR

Vibrations