Geometry & MOs

Info

ID:	16504
PubChem CID:	471477
Reduced:	OC11H12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	320.17763
ΔH_f, kcal/mol:	-33.54
Dipole, Da:	4.95
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations