Geometry & MOs

Info

ID:	287638
PubChem CID:	104249679
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	4.42
IP(EA), eV:	-9.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-yl)-1-(1-propylimidazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)CC2CCCCO2)C

DOS

IR

Vibrations