Geometry & MOs

Info

ID:	340499
PubChem CID:	127262510
Reduced:	ClSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	266.057053
ΔH_f, kcal/mol:	-126.31
Dipole, Da:	5.5
IP(EA), eV:	-10.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-2-chlorophenyl)ethyl 2H-triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCOS(=O)(=O)C1=C(C=C(C=C1)C)Cl

DOS

IR

Vibrations