Geometry & MOs

Info

ID:	147207
PubChem CID:	53786861
Reduced:	PO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	2.31
IP(EA), eV:	-9.26(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-aminobutoxy)-4-hexoxy-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)P(=O)(O)O

DOS

IR

Vibrations