Geometry & MOs

Info

ID:	180566
PubChem CID:	76654220
Reduced:	F3N7H22C24 (1)
Stoich.:	A3B7C22D24 (1)
Weight, g/mol:	495.179456
ΔH_f, kcal/mol:	-12.39
Dipole, Da:	8.56
IP(EA), eV:	-8.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-(5-propan-2-ylpyridin-3-yl)-N-[[5-[3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C2C=CC(=CC2=NC(=N1)NN=CC3=NC=C(C=C3)NC4=CC=CC(=C4)C(F)(F)F)N(C)C

DOS

IR

Vibrations