Geometry & MOs

Info

ID:	438287
PubChem CID:	135228018
Reduced:	FON5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	26.71
Dipole, Da:	5.84
IP(EA), eV:	-9.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyltriazol-4-yl)-2-ethyl-2-methyl-1,3-dihydroindole

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C(=C2)F)N=CN3C(C4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations