Geometry & MOs

Info

ID:	130877
PubChem CID:	51119584
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	440.16306
ΔH_f, kcal/mol:	-79.7
Dipole, Da:	4.38
IP(EA), eV:	-8.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CC=C2C(=O)OC3=CC=C(C=C3)N4CCCC4=O)C

DOS

IR

Vibrations