Geometry & MOs

Info

ID:	247041
PubChem CID:	103066787
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	5.79
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(2-phenylphenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)COC1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations