Geometry & MOs

Info

ID:	56806
PubChem CID:	22390489
Reduced:	FN8C27H31 (1)
Stoich.:	AB8C27D31 (1)
Weight, g/mol:	485.197551
ΔH_f, kcal/mol:	117.09
Dipole, Da:	4.82
IP(EA), eV:	-8.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCCN(C)CC1=C2C(=NC=NN2C=C1)NC3=CC4=C(C=C3)N(N=C4)CC5=CC(=CC=C5)F

DOS

IR

Vibrations