Geometry & MOs

Info

ID:	279037
PubChem CID:	103840691
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	262.109311
ΔH_f, kcal/mol:	20.25
Dipole, Da:	4.23
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)N2CCCNCC2

DOS

IR

Vibrations