Geometry & MOs

Info

ID:	23108
PubChem CID:	601957
Reduced:	NH4C6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	180.068748
ΔH_f, kcal/mol:	75.4
Dipole, Da:	2.92
IP(EA), eV:	-9.21(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[h]quinazoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=CN=CN=C32

DOS

IR

Vibrations