Geometry & MOs

Info

ID:

300453

PubChem CID:

121283715

Reduced:

O2N11C38H51 (1)

Stoich.:

A2B11C38D51 (1)

Weight, g/mol:

707.401984

ΔHf, kcal/mol:

66.14

Dipole, Da:

4.86

IP(EA), eV:

 -8.59(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-tert-butyl-2-[6-[2-(dimethylamino)ethoxy]pyridazin-4-yl]pyrazol-3-yl]-3-[(1S,4R)-4-[[3-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CCN(C)CCN1C=C(C=N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3CCC(C4=CC=CC=C34)OC5=CN6C(=NN=C6N7CCCCC7C)C=C5

DOS

IR

Vibrations