Geometry & MOs

Info

ID:	229213
PubChem CID:	87567197
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	252.120903
ΔH_f, kcal/mol:	-165.24
Dipole, Da:	5.76
IP(EA), eV:	-10.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,4-diol;2-ethoxybutanedioic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NO)C(=O)O

DOS

IR

Vibrations