Geometry & MOs

Info

ID:	402861
PubChem CID:	135057589
Reduced:	SN2O4C29H30 (1)
Stoich.:	AB2C4D29E30 (1)
Weight, g/mol:	291.087099
ΔH_f, kcal/mol:	-106.44
Dipole, Da:	6.46
IP(EA), eV:	-8.46(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC3=C(C(=C2)C)C4=CC5=C(N4CCCC3)C=CC(=C5)C(=O)OC

DOS

IR

Vibrations