Geometry & MOs

Info

ID:	129317
PubChem CID:	51072245
Reduced:	NO3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	209.03559
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	4.09
IP(EA), eV:	-10.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-chloro-1H-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=C2)C(=O)O

DOS

IR

Vibrations