Geometry & MOs

Info

ID:	426473
PubChem CID:	135144321
Reduced:	N2H30C39 (1)
Stoich.:	A2B30C39 (1)
Weight, g/mol:	331.1361
ΔH_f, kcal/mol:	143.2
Dipole, Da:	3.24
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(E)-2-phenylethenyl]benzo[c]acridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)CCCCCC5=C6C=CC7=CC=CC=C7C6=NC8=CC=CC=C85

DOS

IR

Vibrations