Geometry & MOs

Info

ID:	266165
PubChem CID:	103558665
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	5.21
IP(EA), eV:	-9.7(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methoxycyclobutyl)methyl]-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=NN=C1CO)CC2(CCC2)OC

DOS

IR

Vibrations