Geometry & MOs

Info

ID:	29975
PubChem CID:	838673
Reduced:	ClNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	3.04
IP(EA), eV:	-9.41(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR)-6-prop-2-enyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=O)C(=C(C2=O)Cl)OC

DOS

IR

Vibrations