Geometry & MOs

Info

ID:	252092
PubChem CID:	103109054
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	316.130218
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	4.66
IP(EA), eV:	-10.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[2-(3-methylbutylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CN=CC(=C2)C)CCl

DOS

IR

Vibrations