Geometry & MOs

Info

ID:	391152
PubChem CID:	135003178
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	2.88
IP(EA), eV:	-9.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(CC1=CC=CC=C1)(C#N)C(=O)OCC

DOS

IR

Vibrations