Geometry & MOs

Info

ID:	56805
PubChem CID:	22390468
Reduced:	ON2H8C13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	486.265571
ΔH_f, kcal/mol:	94.2
Dipole, Da:	2.48
IP(EA), eV:	-9.11(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC2=C3C(=O)C=CC=C3C=NN=C2C=C1

DOS

IR

Vibrations