Geometry & MOs

Info

ID:	133551
PubChem CID:	51547283
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	369.185255
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	4.58
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC2=NOC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations