Geometry & MOs

Info

ID:	350256
PubChem CID:	127277334
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-7.4
Dipole, Da:	6.02
IP(EA), eV:	-9.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylbutyl)cyclopentyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=CC=C(C=C2)CCNC(=O)N3CC4CCC3C4

DOS

IR

Vibrations