Geometry & MOs

Info

ID:	294336
PubChem CID:	117453509
Reduced:	O3C7H9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	282.134383
ΔH_f, kcal/mol:	-234.08
Dipole, Da:	4.59
IP(EA), eV:	-9.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1OC2CCOCC2)C(C(=O)O)O

DOS

IR

Vibrations