Geometry & MOs

Info

ID:

176951

PubChem CID:

76116586

Reduced:

Br2N5O5C32H39 (1)

Stoich.:

A2B5C5D32E39 (1)

Weight, g/mol:

466.181647

ΔHf, kcal/mol:

-189.32

Dipole, Da:

5.91

IP(EA), eV:

 -8.69(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(2-cyclohexyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-8-yl)oxy-difluoromethyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=C6C(=C(C=C7)Br)C5=C4Br)C)O

DOS

IR

Vibrations