Geometry & MOs

Info

ID:	47981
PubChem CID:	10536124
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-17.81
Dipole, Da:	2.98
IP(EA), eV:	-9.95(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methylphenyl)methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C=CCCCCCC(=O)C1=CC=CC=C1

DOS

IR

Vibrations