Geometry & MOs

Info

ID:	427661
PubChem CID:	135161006
Reduced:	O2F3N6C23H23 (1)
Stoich.:	A2B3C6D23E23 (1)
Weight, g/mol:	502.218935
ΔH_f, kcal/mol:	-110.96
Dipole, Da:	3.94
IP(EA), eV:	-8.82(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)-N'-(2-nitrosoethyliminomethyl)ethanimidamide

Drug info:

PubChemData

Smile

CC(CN(C1=NC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC)C(F)(F)F

DOS

IR

Vibrations