Geometry & MOs

Info

ID:

422486

PubChem CID:

135117915

Reduced:

NOC5H7 (7)

Stoich.:

ABC5D7 (7)

Weight, g/mol:

323.085911

ΔHf, kcal/mol:

-294.81

Dipole, Da:

8.36

IP(EA), eV:

 -8.82(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3CC3)O)CC(C)C)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations