Geometry & MOs

Info

ID:	282832
PubChem CID:	103941450
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	255.067762
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	6.19
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[(1R)-1-hydroxyethyl]-3-nitrothiophen-2-yl]-methylamino]propanenitrile

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(S1)N2CCC(CC2)O)[N+](=O)[O-])O

DOS

IR

Vibrations