Geometry & MOs

Info

ID:	266168
PubChem CID:	103558676
Reduced:	ClO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-59.37
Dipole, Da:	7.4
IP(EA), eV:	-9.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1CCl)CC2(CCC2)OC

DOS

IR

Vibrations