Geometry & MOs

Info

ID:	64600
PubChem CID:	29203192
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	437.183838
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	6.04
IP(EA), eV:	-9.42(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCCCN2CCCC2=O

DOS

IR

Vibrations