Geometry & MOs

Info

ID:	240573
PubChem CID:	93581506
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	441.251523
ΔH_f, kcal/mol:	-149.47
Dipole, Da:	4.29
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3)O

DOS

IR

Vibrations