Geometry & MOs

Info

ID:	413635
PubChem CID:	135086584
Reduced:	O3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	506.248851
ΔH_f, kcal/mol:	-71.5
Dipole, Da:	1.95
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-4-ynyl 7-methoxy-5-[[methyl-di(propan-2-yl)silyl]oxymethyl]-2-(4-methylphenyl)-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CCC2=CC=CC=C2C1=O)[C@@H](C=C)C3=CC=CC=C3

DOS

IR

Vibrations