Geometry & MOs

Info

ID:	320799
PubChem CID:	126663534
Reduced:	SC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	2.79
IP(EA), eV:	-8.56(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,5Z)-7-(ethylaminomethyl)-4-ethylidene-2-methylocta-5,7-dien-3-one

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(C=C1C)S)C)C

DOS

IR

Vibrations