Geometry & MOs

Info

ID:	202083
PubChem CID:	79626586
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	309.088019
ΔH_f, kcal/mol:	-45.83
Dipole, Da:	1.68
IP(EA), eV:	-9.22(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(CN)COCCCC1=CC=CC=C1

DOS

IR

Vibrations