Geometry & MOs

Info

ID:	210716
PubChem CID:	80845233
Reduced:	N2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	57.1
Dipole, Da:	3.14
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-nitroaniline

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1N(CC2CC2)C3CC3)N

DOS

IR

Vibrations