Geometry & MOs

Info

ID:

297009

PubChem CID:

117605636

Reduced:

N3O5C25H25 (1)

Stoich.:

A3B5C25D25 (1)

Weight, g/mol:

586.24523

ΔHf, kcal/mol:

-143.17

Dipole, Da:

1.94

IP(EA), eV:

 -8.91(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-(2-ethoxy-2-oxoethyl)-8-[(5-fluoro-4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)C(CC(=O)O)C(=O)N3CC(OC3=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations