Geometry & MOs

Info

ID:	302865
PubChem CID:	124397777
Reduced:	ClFO2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	254.097917
ΔH_f, kcal/mol:	-130.5
Dipole, Da:	3.71
IP(EA), eV:	-11.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-amino-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C[C@]1(C[C@]1(F)Cl)C(=O)O

DOS

IR

Vibrations