Geometry & MOs

Info

ID:	258277
PubChem CID:	103152504
Reduced:	ON3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	299.092436
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	1.72
IP(EA), eV:	-8.41(2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)propanoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CCN1CCCN2CCCC2C1)CN

DOS

IR

Vibrations