Geometry & MOs

Info

ID:	190472
PubChem CID:	78009652
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	606.266519
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	5.06
IP(EA), eV:	-9.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-bis(dimethylamino)-9,13,14-trihydroxy-11,12-dioxo-2-(4,4,4-trifluorobutyl)-3,4,6,6a,7,7a,8,11a-octahydro-1H-anthra[2,3-g]isoquinoline-10-carboxamide

Drug info:

PubChemData

Smile

CCC(CC(C)C)C=NNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations