Geometry & MOs

Info

ID:	369762
PubChem CID:	127335234
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	17.9
Dipole, Da:	5.6
IP(EA), eV:	-8.47(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations