Geometry & MOs

Info

ID:	299075
PubChem CID:	117670513
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	271.141973
ΔH_f, kcal/mol:	33.64
Dipole, Da:	2.77
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxycyclohexyl)-2-(prop-2-enoylamino)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)ON)N=NN

DOS

IR

Vibrations