Geometry & MOs

Info

ID:	254476
PubChem CID:	103125548
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	179.08071
ΔH_f, kcal/mol:	15.98
Dipole, Da:	5.86
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)C3=CC=CC4=C3OCC4

DOS

IR

Vibrations