Geometry & MOs

Info

ID:	345487
PubChem CID:	127269787
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	7.88
IP(EA), eV:	-9.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-phenylcyclopentyl)methyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)N3CCC(=O)CC3

DOS

IR

Vibrations