Geometry & MOs

Info

ID:	30840
PubChem CID:	841993
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	338.999989
ΔH_f, kcal/mol:	69.38
Dipole, Da:	3.79
IP(EA), eV:	-8.95(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[(1-methylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=C(N(N=C3C)C)C

DOS

IR

Vibrations