Geometry & MOs

Info

ID:	310680
PubChem CID:	126584285
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	4.76
IP(EA), eV:	-8.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-2-methyl-1H-indol-3-yl)propane-1,1-diol

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C(=CC=C2)SC)CCC(=O)O

DOS

IR

Vibrations