Geometry & MOs

Info

ID:	211024
PubChem CID:	80884895
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	6.02
IP(EA), eV:	-9.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1[N+](=O)[O-])SCCO)N

DOS

IR

Vibrations