Geometry & MOs

Info

ID:	444363
PubChem CID:	135262196
Reduced:	FNO3C26H28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	336.089022
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	0.83
IP(EA), eV:	-9.27(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropyridin-4-yl)-2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC)C3(CC=CC=C3)F

DOS

IR

Vibrations