Geometry & MOs

Info

ID:	336796
PubChem CID:	127255803
Reduced:	PN5O6C20H26 (1)
Stoich.:	AB5C6D20E26 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-222.19
Dipole, Da:	7.22
IP(EA), eV:	-9.2(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CCOP(=O)(CO[C@@H](CN1C=NC2=C(N=CN=C21)NC(=O)C3=CC=CC=C3)CO)OCC

DOS

IR

Vibrations