Geometry & MOs

Info

ID:	187774
PubChem CID:	77621941
Reduced:	F2N3O4C30H31 (1)
Stoich.:	A2B3C4D30E31 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-178.85
Dipole, Da:	5.51
IP(EA), eV:	-9.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-(2-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C1C(CCC(N(C1=O)C)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C4=CC(=CC(=C4)F)F)O)N

DOS

IR

Vibrations