Geometry & MOs

Info

ID:	388662
PubChem CID:	134989780
Reduced:	NSO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	190.049075
ΔH_f, kcal/mol:	12.81
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883101
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(nitrosomethylidene)-3-pyridin-4-yl-2H-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C([O+]=NS2)O

DOS

IR

Vibrations