Geometry & MOs

Info

ID:	390938
PubChem CID:	135001677
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	4.82
IP(EA), eV:	-9.25(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-dioxepan-2-yl)quinoline

Drug info:

PubChemData

Smile

CCCCCC(=O)C(C)C1=CC=C(C=C1)OC(=O)C

DOS

IR

Vibrations