Geometry & MOs

Info

ID:	438328
PubChem CID:	135228061
Reduced:	F3N6H17C24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	461.18273
ΔH_f, kcal/mol:	34.3
Dipole, Da:	6.58
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-N-(3-fluoropyridin-2-yl)-6-[2-methyl-1-[methyl-(methylideneamino)amino]prop-1-enyl]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=CN=C3C=C2)N(C4=C(C=C(C=C4)F)F)C5=C(C=CC=N5)F

DOS

IR

Vibrations