Geometry & MOs

Info

ID:	353693
PubChem CID:	127285270
Reduced:	ON6C10H18 (1)
Stoich.:	AB6C10D18 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	14.76
Dipole, Da:	4.49
IP(EA), eV:	-9.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC2=NN=NN2C(C)C

DOS

IR

Vibrations