Geometry & MOs

Info

ID:	431447
PubChem CID:	135171527
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	689.210327
ΔH_f, kcal/mol:	-2.27
Dipole, Da:	3.86
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC3=C2C(=CC=C3)C1=O)C(C)(C)C

DOS

IR

Vibrations