Geometry & MOs

Info

ID:	12822
PubChem CID:	146222
Reduced:	N5C19H19 (1)
Stoich.:	A5B19C19 (1)
Weight, g/mol:	317.164046
ΔH_f, kcal/mol:	110.15
Dipole, Da:	6.71
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperazin-1-yl-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene

Drug info:

PubChemData

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C1CN(CCN1)C2=NN=C3N2C4=CC=CC=C4CC5=CC=CC=C53

DOS

IR

Vibrations