Geometry & MOs

Info

ID:	162151
PubChem CID:	57393773
Reduced:	ClON6C14H15 (1)
Stoich.:	ABC6D14E15 (1)
Weight, g/mol:	304.083937
ΔH_f, kcal/mol:	49.64
Dipole, Da:	3.42
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-chloro-6-piperazin-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

Smile

CN1CCN(CC1)C2=NC(=NC3=C2OC4=C3C=C(C=N4)Cl)N

DOS

IR

Vibrations