Geometry & MOs

Info

ID:	280068
PubChem CID:	103846678
Reduced:	NSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	2.97
IP(EA), eV:	-9.3(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1C(CCO1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations