Geometry & MOs

Info

ID:	29467
PubChem CID:	834046
Reduced:	NO2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	331.116821
ΔH_f, kcal/mol:	-180.46
Dipole, Da:	5.28
IP(EA), eV:	-8.76(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethyl-4-nitrophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)CNC(C)(C)CO)OC

DOS

IR

Vibrations