Geometry & MOs

Info

ID:	444426
PubChem CID:	135262367
Reduced:	F2O3N7H23C24 (1)
Stoich.:	A2B3C7D23E24 (1)
Weight, g/mol:	408.171002
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	7.79
IP(EA), eV:	-9.02(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(3-fluoropyridin-4-yl)amino]-2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CNC(=O)C1=C(C=CN=C1)NC2=NC(=NN3C2=CC=C3)C4=NC(=CC=C4)C(F)F

DOS

IR

Vibrations