Geometry & MOs

Info

ID:

321941

PubChem CID:

126667431

Reduced:

F2O2N8C29H32 (1)

Stoich.:

A2B2C8D29E32 (1)

Weight, g/mol:

518.166014

ΔHf, kcal/mol:

-53.65

Dipole, Da:

11.85

IP(EA), eV:

 -8.13(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-1-N-[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=N2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCC[C@H]5CN(C)C)OC(F)F

DOS

IR

Vibrations