Geometry & MOs

Info

ID:	375464
PubChem CID:	131529825
Reduced:	BrNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	16.07
Dipole, Da:	1.44
IP(EA), eV:	-9.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-amino-1-[3-(difluoromethyl)-5-fluorophenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC2=C(O1)C=CC(=C2)Br)C#N

DOS

IR

Vibrations