Geometry & MOs

Info

ID:	340806
PubChem CID:	127263241
Reduced:	BrIN2H4C5 (1)
Stoich.:	ABC2D4E5 (1)
Weight, g/mol:	174.019605
ΔH_f, kcal/mol:	61.9
Dipole, Da:	0.57
IP(EA), eV:	-10.01(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl pyrazine-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)I)Br

DOS

IR

Vibrations