Geometry & MOs

Info

ID:	84020
PubChem CID:	49863333
Reduced:	ClNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	411.042899
ΔH_f, kcal/mol:	-25.25
Dipole, Da:	3.38
IP(EA), eV:	-8.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-chloro-7-methoxyacridin-2-yl)methyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=C(C=CC(=C3)CO)N=C2C=C1)Cl

DOS

IR

Vibrations