Geometry & MOs

Info

ID:	8333
PubChem CID:	76574
Reduced:	NH5C9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	254.084398
ΔH_f, kcal/mol:	117.32
Dipole, Da:	2.39
IP(EA), eV:	-9.1(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[c]acridine-7-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)C#N

DOS

IR

Vibrations