Geometry & MOs

Info

ID:	342264
PubChem CID:	127265041
Reduced:	OSN5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	4.61
Dipole, Da:	6.87
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-[(2-propan-2-yloxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC(C)N1C(=NNC1=S)C2CCCN(C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations