Geometry & MOs

Info

ID:	403930
PubChem CID:	135062665
Reduced:	OH11C13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	240.099774
ΔH_f, kcal/mol:	66.69
Dipole, Da:	4.73
IP(EA), eV:	-9.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-[(E)-3-methoxy-3-oxoprop-1-enoxy]-5-methylhex-2-ynoate

Drug info:

PubChemData

Smile

C1CC1C#C/C(=C/C(C2=CC=CC=C2)(C3=CC=CC=C3)O)/OC4=CC=CC=C4

DOS

IR

Vibrations