Geometry & MOs

Info

ID:	26399
PubChem CID:	646612
Reduced:	N2O6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-182.76
Dipole, Da:	4.51
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)COC(=O)CCC2=NC3=CC=CC=C3NC2=O

DOS

IR

Vibrations