Geometry & MOs

Info

ID:	240558
PubChem CID:	93581436
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	1.62
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-[furan-2-ylmethyl-[(4-methylphenyl)methyl]amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CC2=CC=CO2)C[C@@H](COC3=C(C=C(C=C3)C=O)OC)O

DOS

IR

Vibrations