Geometry & MOs

Info

ID:

423063

PubChem CID:

135118860

Reduced:

N5O8C36H49 (1)

Stoich.:

A5B8C36D49 (1)

Weight, g/mol:

341.185175

ΔHf, kcal/mol:

-282.37

Dipole, Da:

11.61

IP(EA), eV:

 -8.46(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3CCOCC3)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations