Geometry & MOs

Info

ID:	65383
PubChem CID:	29214833
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	327.182101
ΔH_f, kcal/mol:	-9.4
Dipole, Da:	3.0
IP(EA), eV:	-8.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-2-[(2R)-1-methyl-3-oxopiperazin-1-ium-2-yl]-N-(quinolin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

DOS

IR

Vibrations