Geometry & MOs

Info

ID:	445016
PubChem CID:	135264272
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	309.080121
ΔH_f, kcal/mol:	32.16
Dipole, Da:	6.32
IP(EA), eV:	-10.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-fluoro-3-methyl-9H-[1,2]dioxino[3,4-b]indol-4-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CCC1=C2CCCC2C3=C(C=NN3C1=O)C#N

DOS

IR

Vibrations