Geometry & MOs

Info

ID:

323662

PubChem CID:

126675676

Reduced:

N12O14C29H48 (1)

Stoich.:

A12B14C29D48 (1)

Weight, g/mol:

384.181093

ΔHf, kcal/mol:

-446.17

Dipole, Da:

6.69

IP(EA), eV:

 -10.12(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[1-[(3-pyridin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C[C@H](C1[C@H](C(C([C@H](O1)O[C@@H]2C(C[C@H]([C@H](C2O[C@H]3C(C([C@H](O3)CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O)O)O)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])O)O)O

DOS

IR

Vibrations