Geometry & MOs

Info

ID:	256262
PubChem CID:	103138054
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	215.08254
ΔH_f, kcal/mol:	30.84
Dipole, Da:	3.06
IP(EA), eV:	-7.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1C)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations