Geometry & MOs

Info

ID:	372325
PubChem CID:	131296213
Reduced:	NF2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	198.092376
ΔH_f, kcal/mol:	-135.8
Dipole, Da:	4.84
IP(EA), eV:	-9.87(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloropyridin-2-yl)-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CO)C(F)F)C#N

DOS

IR

Vibrations