Geometry & MOs

Info

ID:

325103

PubChem CID:

126680705

Reduced:

O3N7C29H33 (1)

Stoich.:

A3B7C29D33 (1)

Weight, g/mol:

595.283092

ΔHf, kcal/mol:

35.13

Dipole, Da:

8.24

IP(EA), eV:

 -9.16(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-N-(3,3-difluorobutan-2-yl)-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2CN(CCO2)C(=O)C3=CC(=NC(=N3)OCC4(CC4)C#N)N5CCC(CC5)C6=NCC7=C6C=CC=N7

DOS

IR

Vibrations