Geometry & MOs

Info

ID:	13118
PubChem CID:	221705
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	2.18
IP(EA), eV:	-9.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexyl) 2-phenylacetate

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations