Geometry & MOs

Info

ID:

417289

PubChem CID:

135091950

Reduced:

N8O8C45H58 (1)

Stoich.:

A8B8C45D58 (1)

Weight, g/mol:

342.180424

ΔHf, kcal/mol:

-318.63

Dipole, Da:

7.87

IP(EA), eV:

 -8.32(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-2,5,7-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=C(C=C(NC5=O)C)C)C(C)C

DOS

IR

Vibrations