Geometry & MOs

Info

ID:

448009

PubChem CID:

135287552

Reduced:

OF2N6H20C24 (1)

Stoich.:

AB2C6D20E24 (1)

Weight, g/mol:

465.197631

ΔHf, kcal/mol:

29.87

Dipole, Da:

11.38

IP(EA), eV:

 -9.53(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(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-(2-hydroxypropyl)pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=CC=CC(=N5)C6=NC(=O)NN6)C

DOS

IR

Vibrations