Geometry & MOs

Info

ID:	240525
PubChem CID:	93581315
Reduced:	NO5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-142.12
Dipole, Da:	3.23
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1CN(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3C(=O)C)O

DOS

IR

Vibrations