Geometry & MOs

Info

ID:	222319
PubChem CID:	85296680
Reduced:	NO5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	7.7
IP(EA), eV:	-8.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-cyano-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,12a-icosahydroindolo[2,3-a]carbazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=CC(=O)N=C3C2C(=C1OC)C4=CC(=C(C=C4C3)OC)OC

DOS

IR

Vibrations