Geometry & MOs

Info

ID:

423431

PubChem CID:

135119493

Reduced:

ClNOC17H24 (1)

Stoich.:

ABCD17E24 (1)

Weight, g/mol:

387.172896

ΔHf, kcal/mol:

-62.46

Dipole, Da:

1.58

IP(EA), eV:

 -8.96(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]methyl]-2-cyclopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN(C)C2C[C@@H]3CC(C[C@@H]3C2)O)Cl

DOS

IR

Vibrations