Geometry & MOs

Info

ID:	323645
PubChem CID:	126675645
Reduced:	O3N6C36H44 (1)
Stoich.:	A3B6C36D44 (1)
Weight, g/mol:	127.063329
ΔH_f, kcal/mol:	-46.85
Dipole, Da:	8.91
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,6a-tetrahydro-3aH-furo[2,3-c]pyrrol-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCCC3OCC4=CC=C(C=C4)C5=CC=C(C=C5)CC6CCN(CC6)CCO

DOS

IR

Vibrations