Geometry & MOs

Info

ID:	160467
PubChem CID:	57309815
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	298.196421
ΔH_f, kcal/mol:	-123.1
Dipole, Da:	3.23
IP(EA), eV:	-8.9(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-hydroxypropyl)-2-methyl-2-trimethylsilyloxycyclopentyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CCC(=O)C(CN1C(=O)C2=C(C1=O)CCCC2)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations