Geometry & MOs

Info

ID:	824
PubChem CID:	3404
Reduced:	N2O2F3C15H21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	318.155512
ΔH_f, kcal/mol:	-194.49
Dipole, Da:	2.68
IP(EA), eV:	-9.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine

Drug info:

PubChemData

Smile

COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations