Geometry & MOs

Info

ID:

184582

PubChem CID:

77179109

Reduced:

F3O3N7C31H38 (1)

Stoich.:

A3B3C7D31E38 (1)

Weight, g/mol:

527.28203

ΔHf, kcal/mol:

-182.15

Dipole, Da:

6.5

IP(EA), eV:

 -9.12(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2,5-difluorophenyl)pyrrolidin-3-yl]-4-methyl-5-[2-[4-(oxadiazol-5-yl)-3-propan-2-ylpiperidin-4-yl]ethoxy]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=NN=C(C=C1)C(C2CCNCC2)OC3=CN=C(N=C3)C4(CNCC4C5=CC(=C(C=C5F)F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations