Geometry & MOs

Info

ID:	379490
PubChem CID:	134436481
Reduced:	O2N7C29H37 (1)
Stoich.:	A2B7C29D37 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	12.49
Dipole, Da:	4.42
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-2,3-dihydroxypropoxy]-4-(6-piperazin-1-ylpyridin-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)N4CCC(CC4)(C)NC(=O)C5(CCCC5)N(C)C

DOS

IR

Vibrations