Geometry & MOs

Info

ID:	216980
PubChem CID:	85087069
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-200.57
Dipole, Da:	3.56
IP(EA), eV:	-9.42(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[3-(2-pentylphenyl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCCCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations