Geometry & MOs

Info

ID:	339235
PubChem CID:	127260614
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-181.09
Dipole, Da:	2.06
IP(EA), eV:	-10.3(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 5-methyl-4-nitro-2-propan-2-ylbenzoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC)C1(CCCCC1)O

DOS

IR

Vibrations