Geometry & MOs

Info

ID:	264866
PubChem CID:	103498863
Reduced:	NOF2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	1.52
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)CC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations