Geometry & MOs

Info

ID:	296176
PubChem CID:	117559133
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	227.095771
ΔH_f, kcal/mol:	-127.94
Dipole, Da:	3.23
IP(EA), eV:	-8.15(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-fluoroanilino)-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC(CC(=O)OC)O

DOS

IR

Vibrations