Geometry & MOs

Info

ID:	314472
PubChem CID:	126621880
Reduced:	ClN2H19C30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	416.108026
ΔH_f, kcal/mol:	142.64
Dipole, Da:	4.09
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-(6-phenylnaphthalen-2-yl)benzo[f]quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=NC(=NC4=C3C=CC5=CC=CC=C54)Cl)C6=CC=CC=C6

DOS

IR

Vibrations