Geometry & MOs

Info

ID:

448031

PubChem CID:

135287823

Reduced:

FON2H12C13 (2)

Stoich.:

ABC2D12E13 (2)

Weight, g/mol:

478.218032

ΔHf, kcal/mol:

-47.37

Dipole, Da:

7.06

IP(EA), eV:

 -9.6(-0.89)

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-(2-hydroxy-2-methylpropyl)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=CC(=C5)C(=O)NC6COC6)C

DOS

IR

Vibrations