Geometry & MOs

Info

ID:	398665
PubChem CID:	135034662
Reduced:	ClN2O4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	356.05243
ΔH_f, kcal/mol:	-129.62
Dipole, Da:	6.55
IP(EA), eV:	-9.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aS)-1-(4-bromophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](C=C([C@@H]([C@H]2O1)NC(=O)C3=CC=CC=C3)Cl)NC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations