Geometry & MOs

Info

ID:	57380
PubChem CID:	22395797
Reduced:	SN2O6C28H56 (1)
Stoich.:	AB2C6D28E56 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-344.39
Dipole, Da:	9.33
IP(EA), eV:	-9.29(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-hex-1-enyl]cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)[O-]

DOS

IR

Vibrations