Geometry & MOs

Info

ID:	217140
PubChem CID:	85087316
Reduced:	ClOSN3C16H18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	335.96597
ΔH_f, kcal/mol:	30.6
Dipole, Da:	4.92
IP(EA), eV:	-8.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2-dibromopentyl)-2,5-dimethylpyrazine

Drug info:

PubChemData

Smile

C1CCN(CC1)CN2C(=S)OC(=N2)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations