Geometry & MOs

Info

ID:	285127
PubChem CID:	104098279
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	283.044919
ΔH_f, kcal/mol:	37.03
Dipole, Da:	8.14
IP(EA), eV:	-9.67(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)C(C)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations