Geometry & MOs

Info

ID:	209985
PubChem CID:	80747264
Reduced:	ClON5C14H24 (1)
Stoich.:	ABC5D14E24 (1)
Weight, g/mol:	282.124739
ΔH_f, kcal/mol:	-15.04
Dipole, Da:	2.53
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[cyclopropyl(piperidin-4-ylmethyl)amino]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

COC1=NC=C(C(=N1)N2CCN(CC2)CCCCCN)Cl

DOS

IR

Vibrations