Geometry & MOs

Info

ID:	198024
PubChem CID:	79033431
Reduced:	ClN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	298.9728
ΔH_f, kcal/mol:	19.94
Dipole, Da:	5.05
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromothiophen-2-yl)methylamino]-1-methylpyrazin-2-one

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=CN=CC(=N2)Cl)C

DOS

IR

Vibrations