Geometry & MOs

Info

ID:

422462

PubChem CID:

135117875

Reduced:

N7O7C39H49 (1)

Stoich.:

A7B7C39D49 (1)

Weight, g/mol:

277.153875

ΔHf, kcal/mol:

-249.78

Dipole, Da:

7.36

IP(EA), eV:

 -8.55(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4CC4)C)CC5=CC=CC=C5

DOS

IR

Vibrations