Geometry & MOs

Info

ID:	382928
PubChem CID:	134974368
Reduced:	N3H9C13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	471.168188
ΔH_f, kcal/mol:	107.02
Dipole, Da:	5.16
IP(EA), eV:	-9.64(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R,3S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)CC(C#N)C#N

DOS

IR

Vibrations