Geometry & MOs

Info

ID:	247053
PubChem CID:	103066959
Reduced:	BrClN2O3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	289.123342
ΔH_f, kcal/mol:	-4.63
Dipole, Da:	3.94
IP(EA), eV:	-9.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloronaphthalen-1-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations