Geometry & MOs

Info

ID:	444350
PubChem CID:	135262177
Reduced:	NO2F3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	392.187321
ΔH_f, kcal/mol:	-227.24
Dipole, Da:	2.94
IP(EA), eV:	-9.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[4-[(3-fluoropyridin-4-yl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CC1(CC(C2=CC=CC=C2C13CC3)CC(N)OC(=O)C(F)(F)F)C

DOS

IR

Vibrations