Geometry & MOs

Info

ID:	445891
PubChem CID:	135269878
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	333.170194
ΔH_f, kcal/mol:	71.55
Dipole, Da:	2.94
IP(EA), eV:	-8.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-amino-6-pyridin-3-ylpyrazin-2-yl)methyl]-N-(methylideneamino)cyclohexa-1,3-diene-1-carboximidamide

Drug info:

PubChemData

Smile

C/C(=C(/C(=O)NC1=CC2=C(C=C1)NC=C2)\N=C(C=C)C3=CN=CC=C3)/N

DOS

IR

Vibrations