Geometry & MOs

Info

ID:	194802
PubChem CID:	78591286
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	396.121138
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	3.95
IP(EA), eV:	-9.47(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-methyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC(=CC=C2)O)C#N)C

DOS

IR

Vibrations