Geometry & MOs

Info

ID:	164493
PubChem CID:	74406523
Reduced:	N2O2C14H15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	538.9766
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	4.23
IP(EA), eV:	-8.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8,9-dibromo-7,10-dimethoxy-12-oxo-5a,6,11,11a-tetrahydrobenzo[b]acridine-5-carboxylate

Drug info:

PubChemData

Smile

CC12CC3=C(C(N1C(=O)CN(C2=O)CCN(C)CC#C)C4=CC(=CC=C4)O)NC5=C3C=C(C=C5)OC

DOS

IR

Vibrations