Geometry & MOs

Info

ID:

444421

PubChem CID:

135262360

Reduced:

FO4N8C24H25 (1)

Stoich.:

AB4C8D24E25 (1)

Weight, g/mol:

543.270636

ΔHf, kcal/mol:

-90.44

Dipole, Da:

4.78

IP(EA), eV:

 -8.74(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbonyl]amino]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)NC1=CN2C(=C1)C(=NC(=N2)C3=NC(=CC=C3)OC)NC4=C(C=NC=C4)F

DOS

IR

Vibrations