Geometry & MOs

Info

ID:	259535
PubChem CID:	103167585
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	261.103275
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	8.23
IP(EA), eV:	-9.63(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-(cyclobutylmethyl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC2=NN=CN2C(C)C

DOS

IR

Vibrations