Geometry & MOs

Info

ID:	445019
PubChem CID:	135264275
Reduced:	ClNO3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	309.080121
ΔH_f, kcal/mol:	3.86
Dipole, Da:	0.96
IP(EA), eV:	-9.2(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(NC3=C2C=C(C=C3)Cl)OO1)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations