Geometry & MOs

Info

ID:	323916
PubChem CID:	126676593
Reduced:	OF2N7C17H17 (1)
Stoich.:	AB2C7D17E17 (1)
Weight, g/mol:	480.097616
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	2.15
IP(EA), eV:	-8.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[5-chloro-2-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-[(methylideneamino)methyl]phenoxy]ethanimidoyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)F)CN2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N

DOS

IR

Vibrations