Geometry & MOs

Info

ID:	70829
PubChem CID:	48413922
Reduced:	OSCl2N3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	14.6
Dipole, Da:	1.37
IP(EA), eV:	-9.55(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-thiophen-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations