Geometry & MOs

Info

ID:	200531
PubChem CID:	79405402
Reduced:	Cl2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	33.53
Dipole, Da:	5.72
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,5-trimethylfuran-3-carbonyl)pentanenitrile

Drug info:

PubChemData

Smile

CCCC1=C(N(N=C1C2=CC(=C(C=C2)Cl)Cl)C)N

DOS

IR

Vibrations