Geometry & MOs

Info

ID:	285100
PubChem CID:	104097965
Reduced:	BrSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	50.67
Dipole, Da:	5.14
IP(EA), eV:	-9.7(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(5-nitrothiophen-2-yl)methyl]pentan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCC2=CC=C(S2)[N+](=O)[O-])Br

DOS

IR

Vibrations