Geometry & MOs

Info

ID:	436441
PubChem CID:	135202921
Reduced:	NF2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	471.252192
ΔH_f, kcal/mol:	-232.72
Dipole, Da:	2.0
IP(EA), eV:	-9.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-6,6-dimethyl-8-[1-(oxetan-3-yl)piperidin-4-yl]oxy-1-oxo-5,11-dihydro-2H-benzo[b]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCOC(=O)CN1C2=C(C=CC(=C2F)F)OC1=O

DOS

IR

Vibrations