Geometry & MOs

Info

ID:	284668
PubChem CID:	104058792
Reduced:	NOF2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-105.54
Dipole, Da:	1.76
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(3,4-dihydro-2H-pyran-5-yl)butan-2-ol

Drug info:

PubChemData

Smile

C1CC(=COC1)C(C2=C(C=C(C=C2)F)F)N

DOS

IR

Vibrations