Geometry & MOs

Info

ID:	209799
PubChem CID:	80724244
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	9.44
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-5-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)aniline

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)[N+](=O)[O-])NC(C)CO

DOS

IR

Vibrations