Geometry & MOs

Info

ID:	308385
PubChem CID:	125326776
Reduced:	OCl2N2H22C26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	194.080376
ΔH_f, kcal/mol:	89.43
Dipole, Da:	3.07
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-methyl-4-(4H-pyrazol-3-yl)-3,4-dihydropyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=C2C=CC=CC2=N1)C(C3=C(C(=CC(=C3)Cl)Cl)OC)C4=C5C=CC=CC5=N[C@@H]4C

DOS

IR

Vibrations