Geometry & MOs

Info

ID:	356562
PubChem CID:	127291788
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-133.87
Dipole, Da:	3.73
IP(EA), eV:	-9.09(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations