Geometry & MOs

Info

ID:	285108
PubChem CID:	104098215
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	34.84
Dipole, Da:	6.36
IP(EA), eV:	-9.51(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-nitrothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1CNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations