Geometry & MOs

Info

ID:	372433
PubChem CID:	131297560
Reduced:	F2O3H6C9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-161.55
Dipole, Da:	2.97
IP(EA), eV:	-9.18(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-amino-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1F)F)C(=O)CO2

DOS

IR

Vibrations