Geometry & MOs

Info

ID:	369797
PubChem CID:	127335748
Reduced:	OSN4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	370.10044
ΔH_f, kcal/mol:	-13.18
Dipole, Da:	3.89
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=CN=C2S1)NC3CCN(CC3)CC4CCOC4

DOS

IR

Vibrations