Geometry & MOs

Info

ID:

85207

PubChem CID:

49872332

Reduced:

ClO2N3H24C25 (1)

Stoich.:

AB2C3D24E25 (1)

Weight, g/mol:

453.173166

ΔHf, kcal/mol:

-17.03

Dipole, Da:

2.47

IP(EA), eV:

 -9.24(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;hydrochloride

Drug info:

PubChemData

Smile

C1C2CC3CC1CC3(C2)C4=NC5=CC=CC=C5C(=O)N4NC(=O)CC6=CC=C(C=C6)Cl

DOS

IR

Vibrations