Geometry & MOs

Info

ID:	306900
PubChem CID:	125264229
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	5.25
IP(EA), eV:	-9.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aR,6aR)-4-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]2[C@H]1N(CC2)C(=O)C3=NC=CC3)C4=CC=CC=C4

DOS

IR

Vibrations