Geometry & MOs

Info

ID:	424621
PubChem CID:	135123359
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	232.077869
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	3.21
IP(EA), eV:	-9.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3-fluoropyridin-2-yl)methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1N(C(=O)[C@H](N1C(=O)Cl)C2=CC=CC=C2)C

DOS

IR

Vibrations