Geometry & MOs

Info

ID:	285121
PubChem CID:	104098264
Reduced:	NOSC5H8 (2)
Stoich.:	ABCD5E8 (2)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	3.55
Dipole, Da:	7.64
IP(EA), eV:	-8.86(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC=C(S1)[N+](=O)[O-])SC

DOS

IR

Vibrations