Geometry & MOs

Info

ID:	259135
PubChem CID:	103158322
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	306.082741
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	2.23
IP(EA), eV:	-9.11(1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2,3,4-trifluorophenyl)carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC#C)NCC(CC1CCCC1)O

DOS

IR

Vibrations