Geometry & MOs

Info

ID:

127183

PubChem CID:

50993546

Reduced:

OC5H6 (3)

Stoich.:

AB5C6 (3)

Weight, g/mol:

497.280218

ΔHf, kcal/mol:

-111.0

Dipole, Da:

2.08

IP(EA), eV:

 -9.26(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S)-3-[(1S,5R)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-fluorophenyl)propyl]carbamate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C[C@@H](O[C@@H]2O1)/C=C\C3=CC=CC=C3)C

DOS

IR

Vibrations