Geometry & MOs

Info

ID:	307219
PubChem CID:	125292538
Reduced:	N3O6C30H37 (1)
Stoich.:	A3B6C30D37 (1)
Weight, g/mol:	173.084064
ΔH_f, kcal/mol:	-190.39
Dipole, Da:	1.9
IP(EA), eV:	-8.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-2H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC(=O)N[C@@H](CC4=C5C=CC=CC5=NC4)C(=O)OC)O)O

DOS

IR

Vibrations