Geometry & MOs

Info

ID:	279781
PubChem CID:	103845174
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	271.11392
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	0.56
IP(EA), eV:	-9.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(C)C2CCOCC2)Br

DOS

IR

Vibrations