Geometry & MOs

Info

ID:	240563
PubChem CID:	93581455
Reduced:	FNO5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	413.163851
ΔH_f, kcal/mol:	-154.01
Dipole, Da:	1.85
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@H](CN(CC2=CC(=CC=C2)F)CC3=CC=CO3)O

DOS

IR

Vibrations