Geometry & MOs

Info

ID:	383664
PubChem CID:	134975517
Reduced:	ClNS2O4C8H12 (1)
Stoich.:	ABC2D4E8F12 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	17.99
Dipole, Da:	15.15
IP(EA), eV:	-8.56(-3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(7-methyl-1H-indol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=S(S1)OCl(=O)(=O)=O)/C=C/N(C)C

DOS

IR

Vibrations