Geometry & MOs

Info

ID:	372308
PubChem CID:	131296070
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	233.078283
ΔH_f, kcal/mol:	15.25
Dipole, Da:	2.83
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-chloro-3,6-difluorophenyl)-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

CN1C=NC=C1CNC2=CNC(=O)C=C2

DOS

IR

Vibrations