Geometry & MOs

Info

ID:	251633
PubChem CID:	103105503
Reduced:	ClSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	4.53
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-aminoethyl)-5-(4-chlorophenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CCCSC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations