Geometry & MOs

Info

ID:	369732
PubChem CID:	127335166
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	5.6
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CCC=CC3

DOS

IR

Vibrations