Geometry & MOs

Info

ID:	264858
PubChem CID:	103498371
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	4.97
IP(EA), eV:	-8.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-hydroxy-1-phenylethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1N2CCC3=C2C=C(C=C3)F)O

DOS

IR

Vibrations