Geometry & MOs

Info

ID:

448070

PubChem CID:

135288199

Reduced:

OF2N6H24C25 (1)

Stoich.:

AB2C6D24E25 (1)

Weight, g/mol:

406.160518

ΔHf, kcal/mol:

14.58

Dipole, Da:

6.9

IP(EA), eV:

 -9.13(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=NC=C5)N6CC(C6)C(=O)N)C

DOS

IR

Vibrations