Geometry & MOs

Info

ID:	315866
PubChem CID:	126629147
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	752.270675
ΔH_f, kcal/mol:	-44.06
Dipole, Da:	3.81
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-2-chloro-1,2,3,4-tetrahydropyrimidin-6-yl]phenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/C3(CCOC3=O)C)C=C1

DOS

IR

Vibrations