Geometry & MOs

Info

ID:	374478
PubChem CID:	131330047
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	230.066697
ΔH_f, kcal/mol:	-44.24
Dipole, Da:	3.92
IP(EA), eV:	-8.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-methyl-2-(trifluoromethyl)indol-7-ol

Drug info:

PubChemData

Smile

CC1CN(CCC2=C1C=C(N2)Br)C(=O)C

DOS

IR

Vibrations