Geometry & MOs

Info

ID:	374075
PubChem CID:	131323383
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	266.98705
ΔH_f, kcal/mol:	-148.76
Dipole, Da:	3.51
IP(EA), eV:	-10.72(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-bromo-2-fluorophenyl)-3,3-difluoropropan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=C1)C(=O)O)C(=O)OC

DOS

IR

Vibrations