Geometry & MOs

Info

ID:	173100
PubChem CID:	75596483
Reduced:	ON8H20C30 (1)
Stoich.:	AB8C20D30 (1)
Weight, g/mol:	391.163102
ΔH_f, kcal/mol:	224.97
Dipole, Da:	12.65
IP(EA), eV:	-8.8(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-(7-methyl-2,3-dihydroindol-1-yl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3C=CC4=NNC(=C5N=C6C=NC=C(C6=N5)C7=CN=CC=C7)C4=C3

DOS

IR

Vibrations