Geometry & MOs

Info

ID:	232987
PubChem CID:	87577878
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	2.79
IP(EA), eV:	-9.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminocyclohexyl)methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=O)OOCC2=CC=CC=C2

DOS

IR

Vibrations