Geometry & MOs

Info

ID:	129268
PubChem CID:	51072119
Reduced:	N3O8H17C28 (1)
Stoich.:	A3B8C17D28 (1)
Weight, g/mol:	497.171749
ΔH_f, kcal/mol:	225.28
Dipole, Da:	2.51
IP(EA), eV:	-9.57(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(butylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one;2-chloro-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations