Geometry & MOs

Info

ID:	437001
PubChem CID:	135213662
Reduced:	SN6O7C17H20 (1)
Stoich.:	AB6C7D17E20 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-142.71
Dipole, Da:	11.15
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1-ethylquinolin-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C3CN(C2C(=O)N(C)C)C(=O)N3OS(=O)(=O)O)C(=N1)COC4=CN=CC=C4

DOS

IR

Vibrations