Geometry & MOs

Info

ID:	294329
PubChem CID:	117453314
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	282.072845
ΔH_f, kcal/mol:	-0.84
Dipole, Da:	1.29
IP(EA), eV:	-9.13(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C2(CCCCC2)CN

DOS

IR

Vibrations