Geometry & MOs

Info

ID:	126711
PubChem CID:	50974492
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	7.13
IP(EA), eV:	-8.72(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperazin-1-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CN(CCC(=O)N1CCCC2=CC=CC=C21)CC3(CCOCC3)CO

DOS

IR

Vibrations