Geometry & MOs

Info

ID:

448018

PubChem CID:

135287641

Reduced:

ON10C27H30 (1)

Stoich.:

AB10C27D30 (1)

Weight, g/mol:

407.155767

ΔHf, kcal/mol:

152.31

Dipole, Da:

7.28

IP(EA), eV:

 -8.08(-1.98)

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]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CN(C)C)/C=C23

DOS

IR

Vibrations