Geometry & MOs

Info

ID:	264094
PubChem CID:	103427832
Reduced:	FNOCl3H7C15 (1)
Stoich.:	ABCD3E7F15 (1)
Weight, g/mol:	299.011599
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	5.73
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dichloro-1H-indol-3-yl)-(1,4-dioxan-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)C(=O)C2=CNC3=C2C(=CC(=C3)Cl)Cl

DOS

IR

Vibrations