Geometry & MOs

Info

ID:	302854
PubChem CID:	124397568
Reduced:	O2N3C29H31 (1)
Stoich.:	A2B3C29D31 (1)
Weight, g/mol:	248.089603
ΔH_f, kcal/mol:	-10.19
Dipole, Da:	5.5
IP(EA), eV:	-8.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-butoxy-2-oxoethyl)-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C2=CC=CC=C21)[C@]3(C4=C(C=CC=N4)C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)C)C

DOS

IR

Vibrations