Geometry & MOs

Info

ID:	58749
PubChem CID:	24714812
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	2.91
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[(5-methylfuran-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2C3(C1=O)N(CCS3)C(=O)COC

DOS

IR

Vibrations