Geometry & MOs

Info

ID:	10008
PubChem CID:	96149
Reduced:	ClNO2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	346.048712
ΔH_f, kcal/mol:	-124.88
Dipole, Da:	3.38
IP(EA), eV:	-8.82(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3,6-dimorpholin-4-ylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C(=O)C(=C(C2=O)Cl)N3CCOCC3)Cl

DOS

IR

Vibrations