Geometry & MOs

Info

ID:	392431
PubChem CID:	135016187
Reduced:	SiO3C19H32 (1)
Stoich.:	AB3C19D32 (1)
Weight, g/mol:	311.99972
ΔH_f, kcal/mol:	-168.07
Dipole, Da:	2.45
IP(EA), eV:	-8.7(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3S)-6-bromo-4-oxo-2,3-dihydrochromen-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CC=COC)C1CCCC2=C1OC=C2

DOS

IR

Vibrations