Geometry & MOs

Info

ID:	46385
PubChem CID:	10524173
Reduced:	BrNO3F6C10H10 (1)
Stoich.:	ABC3D6E10F10 (1)
Weight, g/mol:	386.122634
ΔH_f, kcal/mol:	-430.67
Dipole, Da:	5.93
IP(EA), eV:	-10.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)-2-methylpropyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CN1[C@H](C(=O)OC1(C(F)(F)F)C(F)(F)F)CCC(=O)CBr

DOS

IR

Vibrations