Geometry & MOs

Info

ID:	240565
PubChem CID:	93581468
Reduced:	NO6C26H31 (1)
Stoich.:	AB6C26D31 (1)
Weight, g/mol:	417.195151
ΔH_f, kcal/mol:	-158.98
Dipole, Da:	5.04
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1CN(CC2=CC=CO2)C[C@@H](COC3=C(C=C(C=C3)C=O)OC)O

DOS

IR

Vibrations