Geometry & MOs

Info

ID:	222573
PubChem CID:	85305552
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	374.20879
ΔH_f, kcal/mol:	-205.23
Dipole, Da:	2.02
IP(EA), eV:	-8.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)seleninyl-1-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C3=C1N(CC3CO)C(=O)OC(C)(C)C)OCOC

DOS

IR

Vibrations