Geometry & MOs

Info

ID:

449320

PubChem CID:

135297601

Reduced:

F2O2N4C27H32 (1)

Stoich.:

A2B2C4D27E32 (1)

Weight, g/mol:

471.127359

ΔHf, kcal/mol:

-114.16

Dipole, Da:

3.63

IP(EA), eV:

 -9.78(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-4-[5-(2,6-difluorophenyl)-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-1-yl]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=NN=C1[C@](C)(C2=CC=CC(=N2)C(=O)NCCO)C(C)C)C3=C(C=CC=C3F)F

DOS

IR

Vibrations