Geometry & MOs

Info

ID:	285224
PubChem CID:	104098729
Reduced:	SN2O4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	5.36
IP(EA), eV:	-9.56(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1=C(SC(=C1)[N+](=O)[O-])CNCCCOCCO

DOS

IR

Vibrations