Geometry & MOs

Info

ID:

189972

PubChem CID:

77934837

Reduced:

FO6N8C21H23 (1)

Stoich.:

AB6C8D21E23 (1)

Weight, g/mol:

497.279075

ΔHf, kcal/mol:

-29.75

Dipole, Da:

7.52

IP(EA), eV:

 -7.66(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-4-[3-[5-methyl-6-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-3-yl]prop-2-ynyl]-1,4-diazaspiro[4.6]undec-1-en-3-one

Drug info:

PubChemData

Smile

C1CN(CCN(N1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C3=C(C=C(C=C3)N4CC(OC4=O)CN5C=CNN5)F

DOS

IR

Vibrations