Geometry & MOs

Info

ID:	224970
PubChem CID:	85735197
Reduced:	BrO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	288.034213
ΔH_f, kcal/mol:	-70.06
Dipole, Da:	3.28
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetamide;2,4,6-trinitrophenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCBr

DOS

IR

Vibrations