Geometry & MOs

Info

ID:	256626
PubChem CID:	103140300
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-96.78
Dipole, Da:	1.91
IP(EA), eV:	-8.48(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(5-methyloxolan-2-yl)methyl]-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CCCN1C=CN(C1=O)CC2CCC(O2)C

DOS

IR

Vibrations