Geometry & MOs

Info

ID:	446321
PubChem CID:	135274063
Reduced:	ClIOPN3C13H16 (1)
Stoich.:	ABCDE3F13G16 (1)
Weight, g/mol:	533.21435
ΔH_f, kcal/mol:	-42.41
Dipole, Da:	3.04
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-fluoranthen-3-yl-15,15-dimethyl-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C=C3C=NN(C3=C2)PI)Cl)O

DOS

IR

Vibrations