Geometry & MOs

Info

ID:	410485
PubChem CID:	135083283
Reduced:	ClNO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	484.116792
ΔH_f, kcal/mol:	-158.22
Dipole, Da:	6.18
IP(EA), eV:	-10.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(E)-4-(4-chlorophenyl)but-2-enyl]hydroxylamine;oxalic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C/C=C/CON.C(=O)(C(=O)O)O

DOS

IR

Vibrations