Geometry & MOs

Info

ID:	307948
PubChem CID:	125310872
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	330.09506
ΔH_f, kcal/mol:	53.77
Dipole, Da:	1.09
IP(EA), eV:	-9.44(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(4-fluorophenyl)methylideneamino]-5-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1C2=C(N=N1)OC(=C([C@@H]2C3=COC=C3)C#N)N

DOS

IR

Vibrations