Geometry & MOs

Info

ID:	240489
PubChem CID:	93580931
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	387.184586
ΔH_f, kcal/mol:	-159.42
Dipole, Da:	6.52
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C[C@H]2CCCO2)C[C@@H](COC3=CC=CC=C3C=O)O

DOS

IR

Vibrations