Geometry & MOs

Info

ID:	324338
PubChem CID:	126677465
Reduced:	FON6C14H17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	370.134223
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	7.02
IP(EA), eV:	-9.17(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=NC(=C12)N)[C@@H]3CC(CN(C3)C(=O)C=C)F

DOS

IR

Vibrations