Geometry & MOs

Info

ID:	247052
PubChem CID:	103066956
Reduced:	BrClN2O3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	333.97198
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	8.14
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-N-methylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)COC1=C(C=C(C=C1Br)Cl)[N+](=O)[O-]

DOS

IR

Vibrations