Geometry & MOs

Info

ID:	320498
PubChem CID:	126661450
Reduced:	OF2N2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	156.162649
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	4.77
IP(EA), eV:	-9.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-1,5-diazonane

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C/C1=C(C(=CC(=C1)C#N)C2=C(C=C(C=C2)F)F)C)/C

DOS

IR

Vibrations