Geometry & MOs

Info

ID:	74165
PubChem CID:	48421537
Reduced:	ON3C11H17 (2)
Stoich.:	AB3C11D17 (2)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	-61.11
Dipole, Da:	2.23
IP(EA), eV:	-8.61(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CC(=CC=C3)N4CCNC4=O

DOS

IR

Vibrations