Geometry & MOs

Info

ID:

448040

PubChem CID:

135287902

Reduced:

FO2N5C25H26 (1)

Stoich.:

AB2C5D25E26 (1)

Weight, g/mol:

447.207053

ΔHf, kcal/mol:

-22.23

Dipole, Da:

6.98

IP(EA), eV:

 -9.75(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1S,8R)-5-(2-fluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C1=CN=CC(=N1)[C@]23CC[C@H](C2(C)C)C4=CC(=NN=C34)C5=CC=CC=C5F)O

DOS

IR

Vibrations