Geometry & MOs

Info

ID:	43100
PubChem CID:	10318534
Reduced:	NC5H5 (5)
Stoich.:	AB5C5 (5)
Weight, g/mol:	393.967875
ΔH_f, kcal/mol:	167.49
Dipole, Da:	4.05
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-3-(3-chlorophenyl)-5-(3,5-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCNCCC2=CC=CC=C2N=[N+]=[N-])(C#N)C3=CC=CC=C3

DOS

IR

Vibrations