Geometry & MOs

Info

ID:

448032

PubChem CID:

135287844

Reduced:

F2O2N4C27H28 (1)

Stoich.:

A2B2C4D27E28 (1)

Weight, g/mol:

473.177565

ΔHf, kcal/mol:

-92.81

Dipole, Da:

3.53

IP(EA), eV:

 -9.7(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[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]pyrimidin-2-yl]imidazole-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=CC(=C5)C(=O)NCC(C)(C)O)C

DOS

IR

Vibrations