Geometry & MOs

Info

ID:	448752
PubChem CID:	135293305
Reduced:	O2F3N5H20C21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	409.152573
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	9.87
IP(EA), eV:	-8.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[amino-[3-(5-but-2-ynoxypyridin-2-yl)-2-(2,4-difluorophenyl)-3,3-difluoropropyl]amino]methanimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CN=C(C=C2)C(C(CN(/C=N\N)N)(C3=CC=C(C=C3)F)O)(F)F

DOS

IR

Vibrations