Geometry & MOs

Info

ID:

433850

PubChem CID:

135173993

Reduced:

O3N7C26H29 (1)

Stoich.:

A3B7C26D29 (1)

Weight, g/mol:

328.201159

ΔHf, kcal/mol:

-34.11

Dipole, Da:

2.82

IP(EA), eV:

 -8.1(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3S,4R)-3-methyl-7-(1-methyl-2,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=NC(=NC(=C3N(C2=O)C4=CC(=CC=C4)O)N)NC5=CC=C(C=C5)N6CCOCC6

DOS

IR

Vibrations