Geometry & MOs

Info

ID:	220344
PubChem CID:	85177317
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	3.29
IP(EA), eV:	-8.61(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methoxyprop-1-enyl)phenyl]-3,3-dimethylbutan-2-one

Drug info:

PubChemData

Smile

CC1(CCC2C(O1)C3=CC=CC=C3OC2(C)C)C

DOS

IR

Vibrations