Geometry & MOs

Info

ID:	164297
PubChem CID:	74382786
Reduced:	ON4H16C20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	565.278801
ΔH_f, kcal/mol:	87.27
Dipole, Da:	4.66
IP(EA), eV:	-9.49(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[butanoyl-[2-(1H-indol-3-yl)ethyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-1,2,3,4,4a,9b-hexahydrodibenzofuran-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C(=CC3=NC=CN3)C#N

DOS

IR

Vibrations