Geometry & MOs

Info

ID:	444409
PubChem CID:	135262329
Reduced:	F2O2N7H25C29 (1)
Stoich.:	A2B2C7D25E29 (1)
Weight, g/mol:	445.222623
ΔH_f, kcal/mol:	-22.25
Dipole, Da:	2.16
IP(EA), eV:	-9.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C3=C(C=CN=C3)NC4=NC(=NN5C4=CC=C5)C6=NC(=CC=C6)C(F)F

DOS

IR

Vibrations