Geometry & MOs

Info

ID:

323588

PubChem CID:

126675530

Reduced:

ON2H34C49 (1)

Stoich.:

AB2C34D49 (1)

Weight, g/mol:

384.181093

ΔHf, kcal/mol:

190.67

Dipole, Da:

2.45

IP(EA), eV:

 -8.0(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C1=C(OC2=C1C=CC=C2C3=CC=CC(=C3)C4=CC(=CC=C4)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C15)C=C

DOS

IR

Vibrations