Geometry & MOs

Info

ID:	207461
PubChem CID:	80399272
Reduced:	N4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	13.49
Dipole, Da:	6.36
IP(EA), eV:	-9.44(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-(2-cyclohexylethylamino)benzoate

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NCCC2CCCCC2

DOS

IR

Vibrations