Geometry & MOs

Info

ID:	228585
PubChem CID:	87565353
Reduced:	NO3C23H37 (1)
Stoich.:	AB3C23D37 (1)
Weight, g/mol:	368.204633
ΔH_f, kcal/mol:	-141.81
Dipole, Da:	6.74
IP(EA), eV:	-9.5(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxy-3-hydroxybutanedioic acid;4-(4-hydroxybutoxy)butan-1-ol

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)N[C@@H](C)C(=O)O

DOS

IR

Vibrations