Geometry & MOs

Info

ID:	259643
PubChem CID:	103170049
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	2.7
IP(EA), eV:	-9.3(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(CC2=NN(C=C2)C(C)C)O

DOS

IR

Vibrations