Geometry & MOs

Info

ID:	169306
PubChem CID:	75087276
Reduced:	ClO3N9C22H30 (1)
Stoich.:	AB3C9D22E30 (1)
Weight, g/mol:	426.285798
ΔH_f, kcal/mol:	41.31
Dipole, Da:	3.08
IP(EA), eV:	-8.75(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(trifluoromethyl)phenyl]methylideneamino]hexadecanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4C)C.Cl

DOS

IR

Vibrations