Geometry & MOs

Info

ID:	240523
PubChem CID:	93581311
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	439.199488
ΔH_f, kcal/mol:	-135.92
Dipole, Da:	6.2
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3C(=O)C)O

DOS

IR

Vibrations