Geometry & MOs

Info

ID:	280721
PubChem CID:	103850941
Reduced:	FN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	293.09827
ΔH_f, kcal/mol:	-160.56
Dipole, Da:	5.95
IP(EA), eV:	-10.07(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations