Geometry & MOs

Info

ID:	398181
PubChem CID:	135032167
Reduced:	ON3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	339.081477
ΔH_f, kcal/mol:	47.77
Dipole, Da:	4.1
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-chlorophenyl)benzo[b]acridine

Drug info:

PubChemData

Smile

C1CN2C(CN(CN2C1=O)CC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations