Geometry & MOs

Info

ID:

327373

PubChem CID:

126689713

Reduced:

F4O5N7H41C42 (1)

Stoich.:

A4B5C7D41E42 (1)

Weight, g/mol:

349.155018

ΔHf, kcal/mol:

-256.39

Dipole, Da:

5.12

IP(EA), eV:

 -9.51(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-(2-aminoethylamino)ethylamino]pyridin-2-yl]-(4-fluoro-3-nitrophenyl)methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=NC=CC2=C1C=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)C(C5=CC=CC(=C5)C#N)NCC6CC6)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations