Geometry & MOs

Info

ID:	65381
PubChem CID:	29214824
Reduced:	OSN9C23H31 (1)
Stoich.:	ABC9D23E31 (1)
Weight, g/mol:	327.182101
ΔH_f, kcal/mol:	89.7
Dipole, Da:	9.24
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations