Geometry & MOs

Info

ID:	444439
PubChem CID:	135262440
Reduced:	OF2N10H16C21 (1)
Stoich.:	AB2C10D16E21 (1)
Weight, g/mol:	456.238608
ΔH_f, kcal/mol:	55.53
Dipole, Da:	2.35
IP(EA), eV:	-9.29(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylpyridin-2-yl)-4-(pyridin-4-ylamino)-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)C(F)F)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)C(=O)NCC5=NC=NN5

DOS

IR

Vibrations