Geometry & MOs

Info

ID:	266167
PubChem CID:	103558674
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	273.124405
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	5.85
IP(EA), eV:	-9.59(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-[(1-methoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)CN1C=NN=C1CC2(CCC2)OC

DOS

IR

Vibrations