Geometry & MOs

Info

ID:	159183
PubChem CID:	57264336
Reduced:	FOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-222.65
Dipole, Da:	6.48
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4S)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC(COC1=CC=CC(=C1)C(F)(F)F)C#C

DOS

IR

Vibrations