Geometry & MOs

Info

ID:	323991
PubChem CID:	126676726
Reduced:	ON7C24H27 (1)
Stoich.:	AB7C24D27 (1)
Weight, g/mol:	380.099729
ΔH_f, kcal/mol:	73.38
Dipole, Da:	3.92
IP(EA), eV:	-8.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrolo[3,2-c]pyridin-1-yl-2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

C1C2=C(CN1)C(=CC=C2)OC3=CC=CC(=C3)CN=C/C(=C\N)/CC4=CC(=NC(=C4N)N)N

DOS

IR

Vibrations