Geometry & MOs

Info

ID:	167745
PubChem CID:	74868591
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-124.74
Dipole, Da:	7.37
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-ethylphenyl)prop-2-enoylamino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C=CC(=O)NCCCCCC(=O)O

DOS

IR

Vibrations