Geometry & MOs

Info

ID:	137832
PubChem CID:	52269367
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-25.58
Dipole, Da:	2.55
IP(EA), eV:	-8.59(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=CC=C(C=C2)CNCC3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations