Geometry & MOs

Info

ID:	435511
PubChem CID:	135191677
Reduced:	N2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	860.351512
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	3.39
IP(EA), eV:	-9.52(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,6R)-6-carbazol-9-yl-1-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl]-12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,7-dimethyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCC(CC2)C(=N)N

DOS

IR

Vibrations