Geometry & MOs

Info

ID:

311618

PubChem CID:

126595618

Reduced:

FN6C18H19 (1)

Stoich.:

AB6C18D19 (1)

Weight, g/mol:

528.324646

ΔHf, kcal/mol:

98.17

Dipole, Da:

6.13

IP(EA), eV:

 -8.44(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1S)-1-[[cyclopentyl(hydroxy)methyl]amino]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)F)N2C(=C(N=N2)CC)N3C4=CC=CC=C4NN3

DOS

IR

Vibrations