Geometry & MOs

Info

ID:	355281
PubChem CID:	127288238
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	316.147016
ΔH_f, kcal/mol:	-12.89
Dipole, Da:	6.69
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CCN(CC2)C3=C(C(=O)N(C(=O)N3C)C)C#N

DOS

IR

Vibrations