Geometry & MOs

Info

ID:	390732
PubChem CID:	135000630
Reduced:	OC21H22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	3.97
Dipole, Da:	3.41
IP(EA), eV:	-9.05(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-1-phenylprop-1-en-2-yl]cycloheptan-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)CC(C1)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations