Geometry & MOs

Info

ID:	432983
PubChem CID:	135173120
Reduced:	N2H18C27 (2)
Stoich.:	A2B18C27 (2)
Weight, g/mol:	501.08406
ΔH_f, kcal/mol:	274.37
Dipole, Da:	4.48
IP(EA), eV:	-8.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-7-(4-phenylquinazolin-2-yl)-8,9-dihydrobenzo[c]carbazole

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2(C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C7=CC=CC=C7C=C6)C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=CC=CC=C12)C1=CC=CC=N1

DOS

IR

Vibrations