Geometry & MOs

Info

ID:	343483
PubChem CID:	127266656
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	50.86
Dipole, Da:	7.57
IP(EA), eV:	-9.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(4-ethoxyphenyl)triazol-1-yl]methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CCC(C)(CC1=CN(N=N1)C2=CC=CC=C2C#N)O

DOS

IR

Vibrations