Geometry & MOs

Info

ID:	256263
PubChem CID:	103138055
Reduced:	ClON3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	229.09819
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	4.56
IP(EA), eV:	-9.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroethyl)-1-[(5-methyloxolan-2-yl)methyl]triazole

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(N=N2)CCl

DOS

IR

Vibrations