Geometry & MOs

Info

ID:	449886
PubChem CID:	135302299
Reduced:	ClC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	57.77
Dipole, Da:	2.11
IP(EA), eV:	-9.29(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z,5Z)-3-ethynylhepta-3,5-dienyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC/C(=C\C#CC(C)C=C=C)/Cl

DOS

IR

Vibrations