Geometry & MOs

Info

ID:	292459
PubChem CID:	115001454
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	3.89
IP(EA), eV:	-8.75(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-3-propan-2-yloxypropan-1-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OCC(C)C(=O)O

DOS

IR

Vibrations