Geometry & MOs

Info

ID:	320508
PubChem CID:	126661486
Reduced:	OCl2N2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	219.1987
ΔH_f, kcal/mol:	-5.28
Dipole, Da:	3.15
IP(EA), eV:	-9.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-7-ethyl-2,5-dimethylundeca-2,4-dienenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations