Geometry & MOs

Info

ID:	84810
PubChem CID:	49870032
Reduced:	O3C17H25 (2)
Stoich.:	A3B17C25 (2)
Weight, g/mol:	541.340338
ΔH_f, kcal/mol:	-276.21
Dipole, Da:	4.43
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tetradecoxyfuran-2-carbonyl)oxyethyl 3-phenylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)OC(C)OC(=O)C2CCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations