Geometry & MOs

Info

ID:	384777
PubChem CID:	134977647
Reduced:	H18C29 (1)
Stoich.:	A18B29 (1)
Weight, g/mol:	514.304287
ΔH_f, kcal/mol:	331.54
Dipole, Da:	0.83
IP(EA), eV:	-7.63(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

31-nitro-3,26-dioxa-29-azabicyclo[26.4.0]dotriaconta-1(28),29,31-trien-14-yne-2,27-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C=C=C=C=C=C(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4

DOS

IR

Vibrations