Geometry & MOs

Info

ID:	442171
PubChem CID:	135250241
Reduced:	ON6C22H22 (1)
Stoich.:	AB6C22D22 (1)
Weight, g/mol:	774.299476
ΔH_f, kcal/mol:	78.76
Dipole, Da:	11.57
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-[6-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=C4N3C(=CC=C4)N5CCC(C5)C(=O)N

DOS

IR

Vibrations