Geometry & MOs

Info

ID:	369741
PubChem CID:	127335190
Reduced:	FON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-24.16
Dipole, Da:	4.17
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC4=C(N3)C=C(C=C4C)F

DOS

IR

Vibrations