Geometry & MOs

Info

ID:	313397
PubChem CID:	126614402
Reduced:	SN2H26C39 (1)
Stoich.:	AB2C26D39 (1)
Weight, g/mol:	779.293663
ΔH_f, kcal/mol:	170.75
Dipole, Da:	3.46
IP(EA), eV:	-8.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-9-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1,2-dihydronaphtho[1,2-e][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=C(S2)C=CC4=C3C5=C(C=C4)C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9

DOS

IR

Vibrations