Geometry & MOs

Info

ID:	30265
PubChem CID:	841059
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	193.09636
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	5.41
IP(EA), eV:	-8.99(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-phenyl-1,3,3a,4,6,6a-hexahydrotriazolo[4,5-c][1,2,5]oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@H](C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations