Geometry & MOs

Info

ID:	285137
PubChem CID:	104098313
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	224.061949
ΔH_f, kcal/mol:	61.62
Dipole, Da:	5.19
IP(EA), eV:	-9.61(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]cyclopent-3-en-1-amine

Drug info:

PubChemData

Smile

C#CCCCCNCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations