Geometry & MOs

Info

ID:	272723
PubChem CID:	103753163
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	402.04404
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	2.71
IP(EA), eV:	-9.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[(1-methylcyclohexyl)methyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC2CCC(CC2)CO

DOS

IR

Vibrations