Geometry & MOs

Info

ID:	8403
PubChem CID:	77228
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-59.23
Dipole, Da:	2.4
IP(EA), eV:	-9.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butyl-2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations