Geometry & MOs

Info

ID:	373329
PubChem CID:	131313351
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	211.085795
ΔH_f, kcal/mol:	0.17
Dipole, Da:	6.46
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylpyridin-2-yl)amino]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2(CCCC2)C#N)Br

DOS

IR

Vibrations