Geometry & MOs

Info

ID:	253854
PubChem CID:	103121130
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	34.99
Dipole, Da:	3.22
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1C[C@H]2CN(C[C@H]2NC1)C(=O)C3=C4C=NC=CN4N=C3

DOS

IR

Vibrations