Geometry & MOs

Info

ID:	398667
PubChem CID:	135034670
Reduced:	BrON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	13.78
Dipole, Da:	4.14
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one

Drug info:

PubChemData

Smile

C1C[C@H]2N(C1)[C@@H](C(=O)N2C3=CC=CC=C3Br)C4=CC=CC=C4

DOS

IR

Vibrations