Geometry & MOs

Info

ID:	338796
PubChem CID:	127259807
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	322.19328
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	1.57
IP(EA), eV:	-8.62(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-1-phenylcyclohexyl) 2-phenylacetate

Drug info:

PubChemData

Smile

CCN(CC)CCC(C1=CC=CC=C1)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations