Geometry & MOs

Info

ID:

191121

PubChem CID:

78106915

Reduced:

Si6O15C88H160 (1)

Stoich.:

A6B15C88D160 (1)

Weight, g/mol:

407.218206

ΔHf, kcal/mol:

-1051.99

Dipole, Da:

4.13

IP(EA), eV:

 -9.3(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2-aminocyclohexyl)amino]-3-[[6-methyl-4-(triazol-1-yl)pyridin-2-yl]amino]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OCCCCCCCCCCCCCCCCCCCCC#C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations