Geometry & MOs

Info

ID:	446006
PubChem CID:	135271390
Reduced:	ON3H7C9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	400.089558
ΔH_f, kcal/mol:	73.45
Dipole, Da:	3.16
IP(EA), eV:	-8.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridin-3-yl] formate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)OC=O

DOS

IR

Vibrations