Geometry & MOs

Info

ID:	433487
PubChem CID:	135173624
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-100.53
Dipole, Da:	3.27
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-ylmethyl)-5-prop-2-ynoxy-4H-pyran-4-ol

Drug info:

PubChemData

Smile

C1CC(C[C@H]1COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3)NC=O

DOS

IR

Vibrations