Geometry & MOs

Info

ID:	398666
PubChem CID:	135034669
Reduced:	BrON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	356.05243
ΔH_f, kcal/mol:	14.45
Dipole, Da:	4.76
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aS)-1-(2-bromophenyl)-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=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations