Geometry & MOs

Info

ID:	15951
PubChem CID:	456186
Reduced:	ClN4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	244.051574
ΔH_f, kcal/mol:	59.84
Dipole, Da:	2.57
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chlorobenzo[f]quinazoline-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=NC(=N3)N)N)C=C1Cl

DOS

IR

Vibrations