Geometry & MOs

Info

ID:	445741
PubChem CID:	135269248
Reduced:	Cl2O3N4C17H20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	250.165683
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	0.88
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine

Drug info:

PubChemData

Smile

CCN1C(N(C(=O)C2=C1N=C(N2CC3=CC=C(C=C3)Cl)Cl)CCCO)O

DOS

IR

Vibrations