Geometry & MOs

Info

ID:	149126
PubChem CID:	53788798
Reduced:	IN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	284.214016
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	3.33
IP(EA), eV:	-9.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-pent-1-enylcyclohexyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@](CCC#N)(C(=O)OC)NC(=O)C1=CC=C(C=C1)I

DOS

IR

Vibrations