Geometry & MOs

Info

ID:	324473
PubChem CID:	126677731
Reduced:	N3F7H12C14 (1)
Stoich.:	A3B7C12D14 (1)
Weight, g/mol:	407.110628
ΔH_f, kcal/mol:	-296.54
Dipole, Da:	0.68
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=N2)CCC(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations