Geometry & MOs

Info

ID:	24485
PubChem CID:	610581
Reduced:	ClON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	209.03559
ΔH_f, kcal/mol:	32.24
Dipole, Da:	0.94
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-methyl-1H-triazol-5-one

Drug info:

PubChemData

Smile

CC1=NN(NC1=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations