Geometry & MOs

Info

ID:	446962
PubChem CID:	135279134
Reduced:	O5N7C31H39 (1)
Stoich.:	A5B7C31D39 (1)
Weight, g/mol:	470.216535
ΔH_f, kcal/mol:	-140.77
Dipole, Da:	6.06
IP(EA), eV:	-8.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=NN(C1=O)C2CCC(=O)NC2O)C3=CC=C(C=C3)N4CCN(CC4)CC5CCN(CC5)C6=CC=C(C=C6)C(=O)O

DOS

IR

Vibrations