Geometry & MOs

Info

ID:	309487
PubChem CID:	126546576
Reduced:	O2N7C20H21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	414.197966
ΔH_f, kcal/mol:	83.08
Dipole, Da:	5.57
IP(EA), eV:	-8.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[[[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]-methylamino]methylidene]-N-methylbut-3-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)N)/C(=C(/N)\NCCC=N)/N=O

DOS

IR

Vibrations