Geometry & MOs

Info

ID:	159400
PubChem CID:	57269827
Reduced:	Cl2N3O8H15C19 (1)
Stoich.:	A2B3C8D15E19 (1)
Weight, g/mol:	116.043757
ΔH_f, kcal/mol:	-194.4
Dipole, Da:	2.23
IP(EA), eV:	-10.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-difluorocyclohexa-1,4-diene

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3CON(C3=O)OC(=O)C4CCC(=O)O4

DOS

IR

Vibrations