Geometry & MOs

Info

ID:

448005

PubChem CID:

135287520

Reduced:

FON10C35H37 (1)

Stoich.:

ABC10D35E37 (1)

Weight, g/mol:

430.171751

ΔHf, kcal/mol:

106.02

Dipole, Da:

3.34

IP(EA), eV:

 -8.4(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[2-(1H-pyrazol-4-yl)pyrimidin-4-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)/C=C23)F

DOS

IR

Vibrations