Geometry & MOs

Info

ID:	373975
PubChem CID:	131321932
Reduced:	ClN2O2F3H4C8 (1)
Stoich.:	AB2C2D3E4F8 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-186.09
Dipole, Da:	4.64
IP(EA), eV:	-10.06(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1O)OC(F)(F)F)C#N)CCl

DOS

IR

Vibrations