Geometry & MOs

Info

ID:	343862
PubChem CID:	127267038
Reduced:	O4N5C15H17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	330.159295
ΔH_f, kcal/mol:	-8.87
Dipole, Da:	4.32
IP(EA), eV:	-9.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC2CN(C2)C3=C(C=C(C=N3)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations