Geometry & MOs

Info

ID:	28187
PubChem CID:	826108
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	7.07
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-ditert-butyl-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCCC1=C(NC2=C(C1=O)C=C(C=C2)Br)C

DOS

IR

Vibrations