Geometry & MOs

Info

ID:	35634
PubChem CID:	7980122
Reduced:	N2Cl3O3H13C17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	401.162708
ΔH_f, kcal/mol:	-81.82
Dipole, Da:	4.59
IP(EA), eV:	-9.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-oxocyclohexyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Cl)Cl

DOS

IR

Vibrations