Geometry & MOs

Info

ID:	299829
PubChem CID:	117695794
Reduced:	NO2F3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-189.86
Dipole, Da:	4.5
IP(EA), eV:	-9.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methylindol-1-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)COC1=C2C=CC=C(C2=NC=C1)C(F)(F)F

DOS

IR

Vibrations