Geometry & MOs

Info

ID:	270883
PubChem CID:	103638528
Reduced:	ON2S2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	307.97313
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	3.72
IP(EA), eV:	-8.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-bromothiophen-2-yl)ethylamino]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=S)N1)CC(=O)N2CCC3(CCCCC3)CC2

DOS

IR

Vibrations