Geometry & MOs

Info

ID:	171595
PubChem CID:	75400832
Reduced:	ON5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	39.75
Dipole, Da:	3.94
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2,2-dimethylpropanoyl)-2,2-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one

Drug info:

PubChemData

Smile

CCCC1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=N4)CC

DOS

IR

Vibrations