Geometry & MOs

Info

ID:	161694
PubChem CID:	57392347
Reduced:	ClSO4N5C18H22 (1)
Stoich.:	ABC4D5E18F22 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	8.98
IP(EA), eV:	-9.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)C3=NC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations