Geometry & MOs

Info

ID:	448418
PubChem CID:	135290765
Reduced:	ION3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	243.071842
ΔH_f, kcal/mol:	127.02
Dipole, Da:	4.94
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C1CC2CN(CC1N2C3COC3)C4=NC=C(C=C4)I

DOS

IR

Vibrations