Geometry & MOs

Info

ID:	348431
PubChem CID:	127273532
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	14.57
Dipole, Da:	4.13
IP(EA), eV:	-8.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-pyrrolidin-1-ylpyridin-3-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations