Geometry & MOs

Info

ID:	177974
PubChem CID:	76259084
Reduced:	O3N6C21H22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-0.9
Dipole, Da:	6.22
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-phenylpyrazol-4-yl)methyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)COC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3

DOS

IR

Vibrations