Geometry & MOs

Info

ID:	442631
PubChem CID:	135253471
Reduced:	N5O6C44H57 (1)
Stoich.:	A5B6C44D57 (1)
Weight, g/mol:	701.246713
ΔH_f, kcal/mol:	-212.2
Dipole, Da:	7.72
IP(EA), eV:	-8.51(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphtho[2,1-g][1,3]benzoxazole

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CN(C=N1)CCC(=O)OC(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC=C(C=C5)C(C)(C)C)C(=O)O)N

DOS

IR

Vibrations