Geometry & MOs

Info

ID:	30770
PubChem CID:	841844
Reduced:	NF2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	304.043712
ΔH_f, kcal/mol:	-151.69
Dipole, Da:	4.37
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations