Geometry & MOs

Info

ID:

186611

PubChem CID:

77453843

Reduced:

O3N6C28H30 (1)

Stoich.:

A3B6C28D30 (1)

Weight, g/mol:

600.12961

ΔHf, kcal/mol:

-9.74

Dipole, Da:

6.06

IP(EA), eV:

 -8.64(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[7-amino-6-bromo-3-[6-[4-(1,1-difluoroethoxy)phenyl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C2=NC3=C(C=NN3C(=C2C(=O)C)N)C4=CN=C(C=C4)C5=CC=CC=C5)OC

DOS

IR

Vibrations