Geometry & MOs

Info

ID:	18366
PubChem CID:	539824
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	9.72
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butyl-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C

DOS

IR

Vibrations