Geometry & MOs

Info

ID:	328974
PubChem CID:	126729891
Reduced:	N6O9C35H42 (1)
Stoich.:	A6B9C35D42 (1)
Weight, g/mol:	983.398797
ΔH_f, kcal/mol:	-223.81
Dipole, Da:	6.08
IP(EA), eV:	-8.98(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-dimethylphenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(CN3C(=C2)C4=NC5=CC=CC=C5C=C4C3=O)COC1=O)OC(=O)COCCOCCOCCOCCN6C=C(N=N6)CN(C)C

DOS

IR

Vibrations