Geometry & MOs

Info

ID:	207334
PubChem CID:	80380795
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-22.64
Dipole, Da:	5.36
IP(EA), eV:	-8.75(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopropylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NN1)C(=O)N2CCC(CC2)CN(C)C

DOS

IR

Vibrations