Geometry & MOs

Info

ID:	369739
PubChem CID:	127335173
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	396.198383
ΔH_f, kcal/mol:	-15.41
Dipole, Da:	3.23
IP(EA), eV:	-8.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)CN3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations