Geometry & MOs

Info

ID:	126388
PubChem CID:	50962968
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	9.94
Dipole, Da:	5.25
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CN2CCN(CC2)C3=NC=C(C=C3)C(=O)C

DOS

IR

Vibrations