Geometry & MOs

Info

ID:	142307
PubChem CID:	53013602
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	106.35
Dipole, Da:	3.26
IP(EA), eV:	-8.34(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(3-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=NC=CN=C3

DOS

IR

Vibrations