Geometry & MOs

Info

ID:	252061
PubChem CID:	103108803
Reduced:	ClO3N4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	310.083268
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	6.42
IP(EA), eV:	-10.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[(6-methoxypyridin-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCC(=O)NC)CCl

DOS

IR

Vibrations