Geometry & MOs

Info

ID:	325673
PubChem CID:	126684426
Reduced:	FSO4N5C20H22 (1)
Stoich.:	ABC4D5E20F22 (1)
Weight, g/mol:	287.186084
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	6.09
IP(EA), eV:	-8.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-nonan-4-yl-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC[C@@H](COS(=O)(=O)N)[C@H](CN1C=CC2=C(N=CN=C21)C3=CC4=C(N3)C=CC(=C4)F)O

DOS

IR

Vibrations