Geometry & MOs

Info

ID:

448030

PubChem CID:

135287817

Reduced:

F2N5C26H27 (1)

Stoich.:

A2B5C26D27 (1)

Weight, g/mol:

462.186732

ΔHf, kcal/mol:

28.26

Dipole, Da:

4.14

IP(EA), eV:

 -8.61(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-N-(oxetan-3-yl)pyridine-4-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)N6CCCCC6)C

DOS

IR

Vibrations