Geometry & MOs

Info

ID:	344434
PubChem CID:	127267610
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	383.206973
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	2.43
IP(EA), eV:	-9.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CCCN3C(=O)CC(C)(C)C

DOS

IR

Vibrations