Geometry & MOs

Info

ID:	405471
PubChem CID:	135074063
Reduced:	ClN2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	133.037508
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	3.52
IP(EA), eV:	-8.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-4-nitrobutanal

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CN(CC1=CC=CC=C1)CC2=CC=C(N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations