Geometry & MOs

Info

ID:	372766
PubChem CID:	131304276
Reduced:	BrOF3H3N3C7 (1)
Stoich.:	ABC3D3E3F7 (1)
Weight, g/mol:	331.00693
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	4.27
IP(EA), eV:	-9.63(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-cyclopropyl-2-(3-iodo-4-methylphenyl)acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)C#N)N)Br)OC(F)(F)F

DOS

IR

Vibrations