Geometry & MOs

Info

ID:	446593
PubChem CID:	135276268
Reduced:	INOC8H8 (1)
Stoich.:	ABCD8E8 (1)
Weight, g/mol:	390.074915
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	6.05
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-2-methyl-3-(trifluoromethyl)-3H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)I)N

DOS

IR

Vibrations