Geometry & MOs

Info

ID:	51739
PubChem CID:	12014468
Reduced:	N2H4C9 (2)
Stoich.:	A2B4C9 (2)
Weight, g/mol:	437.89387
ΔH_f, kcal/mol:	208.11
Dipole, Da:	8.69
IP(EA), eV:	-9.96(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13,14-dibromo-8-cyanoimino-5-tetracyclo[7.5.2.04,16.012,15]hexadeca-1(15),2,4(16),6,9,11,13-heptaenylidene)cyanamide

Drug info:

PubChemData

Smile

C1=CC2=CC=C3C(=NC#N)C=CC(=NC#N)C4=C3C2=C1C=C4

DOS

IR

Vibrations