Geometry & MOs

Info

ID:	23107
PubChem CID:	601956
Reduced:	NH4C6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	180.068748
ΔH_f, kcal/mol:	75.69
Dipole, Da:	3.48
IP(EA), eV:	-9.47(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[f]quinazoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations