Geometry & MOs

Info

ID:	207354
PubChem CID:	80386480
Reduced:	ClFON4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	6.7
IP(EA), eV:	-9.58(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C(=O)NCC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations