Geometry & MOs

Info

ID:	27730
PubChem CID:	823304
Reduced:	FO2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	21.28
Dipole, Da:	7.12
IP(EA), eV:	-10.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=CC(=N2)[N+](=O)[O-])F

DOS

IR

Vibrations