Geometry & MOs

Info

ID:	164937
PubChem CID:	74475506
Reduced:	ON3C13H18 (2)
Stoich.:	AB3C13D18 (2)
Weight, g/mol:	490.269239
ΔH_f, kcal/mol:	16.23
Dipole, Da:	3.66
IP(EA), eV:	-9.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(1-cyclohexyltetrazol-5-yl)butyl-(furan-2-ylmethyl)amino]methyl]-7-methoxy-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1C2CCCC2)N(CC3C=C4C=CC(=CC4=NC3=O)OC)C5CCCC5

DOS

IR

Vibrations