Geometry & MOs

Info

ID:	445020
PubChem CID:	135264276
Reduced:	FNO3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	291.089543
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	1.11
IP(EA), eV:	-9.07(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(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)F)OO1)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations