Geometry & MOs

Info

ID:	379493
PubChem CID:	134436601
Reduced:	ON6C26H34 (1)
Stoich.:	AB6C26D34 (1)
Weight, g/mol:	467.206973
ΔH_f, kcal/mol:	60.39
Dipole, Da:	5.17
IP(EA), eV:	-8.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-4-[6-[(1S,4S)-5-(6-methoxypyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N(C)CCC4CCCN(C4)C(C)C

DOS

IR

Vibrations