Geometry & MOs

Info

ID:

321727

PubChem CID:

126666896

Reduced:

FO3N6C20H27 (1)

Stoich.:

AB3C6D20E27 (1)

Weight, g/mol:

412.183458

ΔHf, kcal/mol:

-87.73

Dipole, Da:

6.16

IP(EA), eV:

 -9.37(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3,6-difluorocyclohex-3-en-1-yl)methyl]-4-[[(1R,2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-3a,4-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC=C(C=C1CN(C)C(=O)C2=NNC3=NC=NC(C23)N[C@@H]4CC[C@H]([C@H]4O)O)F

DOS

IR

Vibrations