Geometry & MOs

Info

ID:	256266
PubChem CID:	103138062
Reduced:	BrON3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	243.11384
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	4.44
IP(EA), eV:	-9.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations