Geometry & MOs

Info

ID:	285132
PubChem CID:	104098285
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	14.08
Dipole, Da:	6.32
IP(EA), eV:	-9.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(5-nitrothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1(CCC1)CNCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations