Geometry & MOs

Info

ID:	372213
PubChem CID:	131294395
Reduced:	FN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	231.08262
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	11.13
IP(EA), eV:	-8.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=C2C=C(NO2)N)C=C(C1=O)F

DOS

IR

Vibrations