Geometry & MOs

Info

ID:	240572
PubChem CID:	93581505
Reduced:	NO5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-165.08
Dipole, Da:	4.37
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[benzyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCC1=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