Geometry & MOs

Info

ID:	135411
PubChem CID:	51868412
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	5.09
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@@H]4[C@H]3CCCC4

DOS

IR

Vibrations