Geometry & MOs

Info

ID:	303834
PubChem CID:	124490234
Reduced:	ClFN3O4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	6.19
IP(EA), eV:	-9.52(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1[C@H](CN(C1=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations