Geometry & MOs

Info

ID:	315811
PubChem CID:	126628916
Reduced:	ClF2N3O3H26C30 (1)
Stoich.:	AB2C3D3E26F30 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-147.29
Dipole, Da:	4.66
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetyl-6-methylindol-1-yl)propan-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C2C(=O)C)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=C(C=CC=C4F)C5=CC=CC=C5Cl)F

DOS

IR

Vibrations