Geometry & MOs

Info

ID:	242936
PubChem CID:	99214369
Reduced:	O2S2N4C21H28 (1)
Stoich.:	A2B2C4D21E28 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	3.37
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-quinolin-5-ylmethanone

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N(C)C

DOS

IR

Vibrations