Geometry & MOs

Info

ID:	282843
PubChem CID:	103941727
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	287.130363
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	4.17
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-[3-(dimethylamino)propyl-methylamino]-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(S1)N(CCO)C2CC2)[N+](=O)[O-])O

DOS

IR

Vibrations