Geometry & MOs

Info

ID:	240574
PubChem CID:	93581510
Reduced:	NO5C26H35 (1)
Stoich.:	AB5C26D35 (1)
Weight, g/mol:	441.251523
ΔH_f, kcal/mol:	-170.47
Dipole, Da:	5.37
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methyl-[(4-propan-2-ylphenyl)methyl]amino]propoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=C(C=C(C=C3)C=O)OC)O

DOS

IR

Vibrations