Geometry & MOs

Info

ID:	240576
PubChem CID:	93581513
Reduced:	FNO5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-198.29
Dipole, Da:	7.91
IP(EA), eV:	-8.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-hydroxy-3-[(4-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC(=CC=C3)F)O

DOS

IR

Vibrations