Geometry & MOs

Info

ID:	252400
PubChem CID:	103111107
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	239.117095
ΔH_f, kcal/mol:	-64.75
Dipole, Da:	3.47
IP(EA), eV:	-9.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-amino-2-methylphenyl)methylamino]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCCCC1N2C(=C(N=N2)C(=O)OCC)CN

DOS

IR

Vibrations