Geometry & MOs

Info

ID:	395797
PubChem CID:	135026575
Reduced:	Cl2F3N3O4H32C34 (1)
Stoich.:	A2B3C3D4E32F34 (1)
Weight, g/mol:	291.087099
ΔH_f, kcal/mol:	-295.9
Dipole, Da:	6.03
IP(EA), eV:	-9.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-(trifluoromethoxy)phenyl]indole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)[C@H]2CC(=O)N[C@H]([C@@]23C4=C(C=C(C=C4)Cl)NC3=O)C5=C(C=CC(=C5)Cl)OC(C)(C)C(=O)N6CCC(CC6)(F)F

DOS

IR

Vibrations