Geometry & MOs

Info

ID:	445017
PubChem CID:	135264273
Reduced:	FNO3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	305.105193
ΔH_f, kcal/mol:	-15.74
Dipole, Da:	3.25
IP(EA), eV:	-8.65(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(NC3=C2C=CC=C3F)OO1)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations