Geometry & MOs

Info

ID:	327126
PubChem CID:	126689051
Reduced:	OF3N5H32C33 (1)
Stoich.:	AB3C5D32E33 (1)
Weight, g/mol:	308.035255
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	5.44
IP(EA), eV:	-9.02(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-9-nitrobenzo[c]acridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations