Geometry & MOs

Info

ID:	252124
PubChem CID:	103109293
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	277.065176
ΔH_f, kcal/mol:	1.35
Dipole, Da:	3.38
IP(EA), eV:	-9.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(3-methylsulfanylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CC3=CC=CC=C23)CCl

DOS

IR

Vibrations