Geometry & MOs

Info

ID:	240509
PubChem CID:	93581165
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	469.210052
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	4.09
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2R)-3-[furan-2-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN(CC2=CC=CO2)C[C@H](COC3=CC=CC(=C3)C(=O)C)O

DOS

IR

Vibrations