Geometry & MOs

Info

ID:	305383
PubChem CID:	124807062
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	35.33
Dipole, Da:	5.68
IP(EA), eV:	-9.13(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-2-pyrimidin-2-yl-5-(2-pyrrolidin-1-ylethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]2[C@@H]1N(CC2)C3=NC=CC=N3)C4=CN=CC=C4

DOS

IR

Vibrations