Geometry & MOs

Info

ID:	312425
PubChem CID:	126604773
Reduced:	S2O3N5H15C16 (1)
Stoich.:	A2B3C5D15E16 (1)
Weight, g/mol:	205.157898
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	5.69
IP(EA), eV:	-8.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpiperazin-1-yl)cyclohepta-1,4,6-trien-1-amine

Drug info:

PubChemData

Smile

C\1CC2=C(SC(=C2C(=S)/C1=C\NN)OC3=CN=CC(=C3)C(=O)N)C(=O)N

DOS

IR

Vibrations