Geometry & MOs

Info

ID:	240485
PubChem CID:	93580885
Reduced:	NO7C25H29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	387.184586
ΔH_f, kcal/mol:	-184.01
Dipole, Da:	4.79
IP(EA), eV:	-8.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3C=O)O

DOS

IR

Vibrations