Geometry & MOs

Info

ID:	372543
PubChem CID:	131299497
Reduced:	ClF4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	224.174945
ΔH_f, kcal/mol:	-210.22
Dipole, Da:	3.15
IP(EA), eV:	-10.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-ethylpiperazin-1-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1C(F)(F)F)F)CCl

DOS

IR

Vibrations