Geometry & MOs

Info

ID:	25817
PubChem CID:	631203
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	343.084299
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	5.6
IP(EA), eV:	-9.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,3-pentafluoro-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OCC2=NC(=NC(=N2)N3CCCCC3)N

DOS

IR

Vibrations