Geometry & MOs

Info

ID:	393110
PubChem CID:	135019400
Reduced:	SiN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	452.219889
ΔH_f, kcal/mol:	-81.36
Dipole, Da:	6.92
IP(EA), eV:	-9.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-3-[[(1R,8aR)-1-(furan-3-yl)-8a-methyl-3-oxo-7,8-dihydro-1H-isochromen-5-yl]methoxy]-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)C2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations