Geometry & MOs

Info

ID:	436802
PubChem CID:	135211675
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	188.133178
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	5.2
IP(EA), eV:	-6.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-chloro-6-ethylnon-3-ene

Drug info:

PubChemData

Smile

CS(C)(C)CN(CC1=CC=CC=C1)COC2CC=CC(=O)OC2

DOS

IR

Vibrations