Geometry & MOs

Info

ID:	328910
PubChem CID:	126729148
Reduced:	SN2O2C15H26 (1)
Stoich.:	AB2C2D15E26 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-70.24
Dipole, Da:	2.07
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-ethyl-6-hydroxy-2-methyl-3-propan-2-ylnon-5-en-4-one

Drug info:

PubChemData

Smile

COCCN(CCOC)C1=NC(=CS1)C2CCCCC2

DOS

IR

Vibrations