Geometry & MOs

Info

ID:	259534
PubChem CID:	103167534
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	2.97
IP(EA), eV:	-9.21(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCNCC1=C(OC=N1)CC2CC(C2)OCC

DOS

IR

Vibrations