Geometry & MOs

Info

ID:	282847
PubChem CID:	103941995
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	6.15
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)N(C)CC2CC(C2)O)[N+](=O)[O-])O

DOS

IR

Vibrations