Geometry & MOs

Info

ID:	279600
PubChem CID:	103844437
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	227.14339
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	3.7
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC2=CC=CC=C2C=C1C)CO

DOS

IR

Vibrations