Geometry & MOs

Info

ID:

300454

PubChem CID:

121283723

Reduced:

O3N11C38H49 (1)

Stoich.:

A3B11C38D49 (1)

Weight, g/mol:

434.243024

ΔHf, kcal/mol:

42.68

Dipole, Da:

4.71

IP(EA), eV:

 -8.96(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4R)-4-[[3-[(2S,6R)-2,6-dimethylpiperidin-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

CC1CCCCN1C2=NN=C3N2C=C(C=C3)O[C@@H]4CC[C@@H](C5=CC=CC=C45)NC(=O)NC6=CC(=NN6C7=CC(=NN=C7)OCCN(C)C)C(C)(C)C

DOS

IR

Vibrations