Geometry & MOs

Info

ID:	312121
PubChem CID:	126603303
Reduced:	FNO3C24H30 (1)
Stoich.:	ABC3D24E30 (1)
Weight, g/mol:	259.082013
ΔH_f, kcal/mol:	-147.79
Dipole, Da:	3.29
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[(1S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCN1CC2=C(C(=C(C(=C2C1)F)C)C(=O)OC3=CC=CC=C3)OCCCC

DOS

IR

Vibrations