Geometry & MOs

Info

ID:	123521
PubChem CID:	50852273
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-99.75
Dipole, Da:	2.37
IP(EA), eV:	-8.9(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[1-(1,3-benzodioxol-5-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CC2=CN(N=N2)CC3CCCO3

DOS

IR

Vibrations