Geometry & MOs

Info

ID:	306839
PubChem CID:	125258740
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-10.8
Dipole, Da:	7.59
IP(EA), eV:	-9.19(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-1-(3-methylthiophene-2-carbonyl)-4-(2-pyrrolidin-1-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H]2CCN(C[C@@H]2C[C@H]1CN3C=NC=N3)CC4=COC=C4

DOS

IR

Vibrations