Geometry & MOs

Info

ID:	146516
PubChem CID:	53699799
Reduced:	NOF3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	500.231122
ΔH_f, kcal/mol:	-188.95
Dipole, Da:	4.89
IP(EA), eV:	-10.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,6,6-tetramethyl-9-(4-nitro-3-phenylmethoxyphenyl)-2,4,4a,5,7,9a-hexahydroacridine-1,8-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(F)(F)F)C(=O)N

DOS

IR

Vibrations