Geometry & MOs

Info

ID:	240557
PubChem CID:	93581431
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-136.65
Dipole, Da:	3.65
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-[(4-ethylphenyl)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=CO2)CC3=CC=CO3)O

DOS

IR

Vibrations