Geometry & MOs

Info

ID:	135409
PubChem CID:	51867636
Reduced:	OF3N4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-182.36
Dipole, Da:	8.17
IP(EA), eV:	-8.9(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@H]2CCCN(C2)C)C(F)(F)F)C(=O)N3CCCCC3

DOS

IR

Vibrations