Geometry & MOs

Info

ID:	23414
PubChem CID:	603422
Reduced:	ClO2F3N3C7H7 (1)
Stoich.:	AB2C3D3E7F7 (1)
Weight, g/mol:	257.017889
ΔH_f, kcal/mol:	-218.31
Dipole, Da:	5.99
IP(EA), eV:	-9.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-chloro-2-(trifluoromethyl)-1H-imidazol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

C(C1=C(N=C(N1)C(F)(F)F)Cl)C(C(=O)O)N

DOS

IR

Vibrations