Geometry & MOs

Info

ID:	285126
PubChem CID:	104098277
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	297.060569
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	6.75
IP(EA), eV:	-9.45(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-nitrothiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCCCC(CCC)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations