Geometry & MOs

Info

ID:	56807
PubChem CID:	22390491
Reduced:	FO2N7H24C26 (1)
Stoich.:	AB2C7D24E26 (1)
Weight, g/mol:	473.233937
ΔH_f, kcal/mol:	30.11
Dipole, Da:	5.42
IP(EA), eV:	-8.27(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=C3C(=NC=NN3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F)C(=O)O

DOS

IR

Vibrations