Geometry & MOs

Info

ID:	392046
PubChem CID:	135012212
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	360.175686
ΔH_f, kcal/mol:	-142.32
Dipole, Da:	3.41
IP(EA), eV:	-10.61(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-4-oxocyclohexa-2,5-dien-1-yl]prop-2-ynoate

Drug info:

PubChemData

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C[C@@H](C[C@H](CC#CC(=O)OC)O)O

DOS

IR

Vibrations