Geometry & MOs

Info

ID:	48994
PubChem CID:	11528594
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	4.04
IP(EA), eV:	-9.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hexylamino)-4-(hydroxyamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN(C)C(=O)CCC1=CC=CC=C1Cl

DOS

IR

Vibrations