Geometry & MOs

Info

ID:	235422
PubChem CID:	92708753
Reduced:	ON4C25H28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	435.209282
ΔH_f, kcal/mol:	29.05
Dipole, Da:	5.68
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN2CCCN(C2=C1)CC3=CC=C(C=C3)C(=O)N[C@@H]4CCCC5=CC=CC=C45

DOS

IR

Vibrations