Geometry & MOs

Info

ID:	369791
PubChem CID:	127335283
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	4.11
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CC4=CC=CC=C4OC3

DOS

IR

Vibrations