Geometry & MOs

Info

ID:	37293
PubChem CID:	8019180
Reduced:	ON3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	392.147118
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	3.39
IP(EA), eV:	-8.55(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[3-(3,4,5-trimethoxyphenyl)propanoyloxymethyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)N(C)C2CCN(CC2)C

DOS

IR

Vibrations