Geometry & MOs

Info

ID:

448039

PubChem CID:

135287876

Reduced:

O2F3N7H18C24 (1)

Stoich.:

A2B3C7D18E24 (1)

Weight, g/mol:

447.207053

ΔHf, kcal/mol:

-5.53

Dipole, Da:

11.55

IP(EA), eV:

 -10.0(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1S,8R)-5-(2-fluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazine-2-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=C5F)C6=NC(=NO6)C(=O)N)C

DOS

IR

Vibrations