Geometry & MOs

Info

ID:	324113
PubChem CID:	126676942
Reduced:	FOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	257.95416
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	1.69
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-4H-chromene

Drug info:

PubChemData

Smile

CC1(CC=C(C(=C1)N2C(=O)CSC2=N)F)C

DOS

IR

Vibrations