Geometry & MOs

Info

ID:	279565
PubChem CID:	103844351
Reduced:	ON2F3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-200.37
Dipole, Da:	3.12
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(quinolin-2-ylamino)methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=CC=CC(=N1)C(F)(F)F)CO

DOS

IR

Vibrations