Geometry & MOs

Info

ID:	162150
PubChem CID:	57393772
Reduced:	BrSN5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	318.099587
ΔH_f, kcal/mol:	88.39
Dipole, Da:	4.74
IP(EA), eV:	-8.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-chloro-6-(4-methylpiperazin-1-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine

Drug info:

PubChemData

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C1[C@H]2CN[C@@H]1CN2C3=NC(=NC4=C3SC5=C4C=CC(=C5)Br)N

DOS

IR

Vibrations