Geometry & MOs

Info

ID:	282840
PubChem CID:	103941463
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	286.098728
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	7.64
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-[cyclopropyl(2-methoxyethyl)amino]-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations