Geometry & MOs

Info

ID:	260833
PubChem CID:	103206481
Reduced:	NF2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-217.73
Dipole, Da:	3.16
IP(EA), eV:	-9.34(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-oxo-4-(pent-4-ynylamino)butanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCOCC(F)F

DOS

IR

Vibrations