Geometry & MOs

Info

ID:	30232
PubChem CID:	840871
Reduced:	ClON6H11C12 (1)
Stoich.:	ABC6D11E12 (1)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	122.58
Dipole, Da:	5.93
IP(EA), eV:	-9.09(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dihydroxyamino)-N-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)propylimino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC3=NON=C3N=C2NC)Cl

DOS

IR

Vibrations