Geometry & MOs

Info

ID:	372241
PubChem CID:	131294614
Reduced:	ClFNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	231.107085
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	4.08
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3,5-dimethylphenol

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C=C2[C@@]1(CO)N)F)Cl

DOS

IR

Vibrations