Geometry & MOs

Info

ID:

123039

PubChem CID:

50831075

Reduced:

FO3N5C25H32 (1)

Stoich.:

AB3C5D25E32 (1)

Weight, g/mol:

487.279469

ΔHf, kcal/mol:

-139.27

Dipole, Da:

6.5

IP(EA), eV:

 -9.39(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-1-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC2=C(C1)C(=NN2C)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations