Geometry & MOs

Info

ID:

309399

PubChem CID:

126546007

Reduced:

ON3H13C14 (2)

Stoich.:

AB3C13D14 (2)

Weight, g/mol:

494.206639

ΔHf, kcal/mol:

75.18

Dipole, Da:

4.41

IP(EA), eV:

 -9.01(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(1-aminocyclopropanecarbonyl)-1'-[[4-(1,3-oxazol-2-yl)isoquinolin-3-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one

Drug info:

PubChemData

Smile

CC1(CC1)N2C3=C(C=NC=C3)N(C2=O)CC4=C(C5=CC=CC=C5C=N4)C6=CN=C(C=C6)C7(COC7)N

DOS

IR

Vibrations