Geometry & MOs

Info

ID:	213202
PubChem CID:	81063155
Reduced:	NF2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	-268.7
Dipole, Da:	2.09
IP(EA), eV:	-10.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(prop-2-ynoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC=C1OC(F)F

DOS

IR

Vibrations