Geometry & MOs

Info

ID:	191223
PubChem CID:	78119914
Reduced:	N2O2F3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	366.089895
ΔH_f, kcal/mol:	-204.48
Dipole, Da:	8.91
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-indol-3-ylidene-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=CC(=C2)NCC3=CC=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations