Geometry & MOs

Info

ID:	265127
PubChem CID:	103510783
Reduced:	ClFSN3O3H9C11 (1)
Stoich.:	ABCD3E3F9G11 (1)
Weight, g/mol:	275.185844
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	9.05
IP(EA), eV:	-10.21(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)NC2=CC(=C(C=C2)S(=O)(=O)Cl)F

DOS

IR

Vibrations