Geometry & MOs

Info

ID:	348401
PubChem CID:	127273494
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	6.05
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=C(C=C4CCC(=O)NC4=C3)F

DOS

IR

Vibrations