Geometry & MOs

Info

ID:	23576
PubChem CID:	604716
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	3.64
IP(EA), eV:	-9.49(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylcycloheptan-1-one

Drug info:

PubChemData

Smile

C1CC(CCC(=O)C1)C2=CC=CC=C2

DOS

IR

Vibrations