Geometry & MOs

Info

ID:

298633

PubChem CID:

117653051

Reduced:

O3N5C23H25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

587.296851

ΔHf, kcal/mol:

-31.96

Dipole, Da:

7.39

IP(EA), eV:

 -9.15(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-methyl-4-[4-[(3-methylpyridin-2-yl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazol-3-yl]tetrazol-2-yl]propyl propan-2-yl carbonate

Drug info:

PubChemData

Smile

C1C[C@@H](N[C@@H]1CC2=CN=C(C=C2)NC(=O)CN3C(=O)C=CC=N3)C(C4=CC=CC=C4)O

DOS

IR

Vibrations