Geometry & MOs

Info

ID:	313125
PubChem CID:	126612087
Reduced:	NC4H8 (2)
Stoich.:	AB4C8 (2)
Weight, g/mol:	589.167794
ΔH_f, kcal/mol:	13.03
Dipole, Da:	3.51
IP(EA), eV:	-8.01(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-cyclohexa-1,3-dien-5-yn-1-yl-2,8-di(dibenzofuran-2-yl)phenoxazine

Drug info:

PubChemData

Smile

CC(C)N(C)/C(=C\C=C)/N

DOS

IR

Vibrations