Geometry & MOs

Info

ID:	285125
PubChem CID:	104098275
Reduced:	NOSC5H7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	12.34
Dipole, Da:	5.67
IP(EA), eV:	-8.79(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]octan-4-amine

Drug info:

PubChemData

Smile

C1CC(CSC1)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations