Geometry & MOs

Info

ID:	296173
PubChem CID:	117559014
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-170.82
Dipole, Da:	6.67
IP(EA), eV:	-9.41(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-2-methylanilino)-4-hydroxypentanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)NCC(CCC(=O)O)O

DOS

IR

Vibrations