Geometry & MOs

Info

ID:	379501
PubChem CID:	134436877
Reduced:	O3N7C27H27 (1)
Stoich.:	A3B7C27D27 (1)
Weight, g/mol:	495.238273
ΔH_f, kcal/mol:	66.97
Dipole, Da:	4.82
IP(EA), eV:	-8.49(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CN2C3CC2CN(C3)C4=NC=C(C=C4)C5=CC(=CN6C5=C(C=N6)C#N)OCCO

DOS

IR

Vibrations