Geometry & MOs

Info

ID:

449317

PubChem CID:

135297580

Reduced:

F2N5H17C21 (1)

Stoich.:

A2B5C17D21 (1)

Weight, g/mol:

491.213281

ΔHf, kcal/mol:

42.82

Dipole, Da:

8.87

IP(EA), eV:

 -9.96(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[(1S,8R)-5-(2,6-difluorophenyl)-9,9-dimethyl-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-1-yl]pyrazin-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CC[C@](C2=NN=C(C=C12)C3=C(C=CC=C3F)F)(C)C4=NC=C(N=C4)C#N

DOS

IR

Vibrations