Geometry & MOs

Info

ID:	361845
PubChem CID:	127304816
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	398.188881
ΔH_f, kcal/mol:	15.88
Dipole, Da:	1.92
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCN(CC2)CC3=CN=C(S3)C

DOS

IR

Vibrations