Geometry & MOs

Info

ID:

424782

PubChem CID:

135123896

Reduced:

N6O13C25H34 (1)

Stoich.:

A6B13C25D34 (1)

Weight, g/mol:

371.19574

ΔHf, kcal/mol:

-521.51

Dipole, Da:

11.75

IP(EA), eV:

 -9.33(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CNC(=O)NC1=O.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O.CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations