Geometry & MOs

Info

ID:	200603
PubChem CID:	79415353
Reduced:	NO2F3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-246.3
Dipole, Da:	2.04
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-aminopentan-2-yl)-2-propan-2-yloxan-4-ol

Drug info:

PubChemData

Smile

CCCC(CN)C(C1=CC=CC=C1OC(F)(F)F)O

DOS

IR

Vibrations