Geometry & MOs

Info

ID:	287683
PubChem CID:	104251783
Reduced:	NSO3C15H29 (1)
Stoich.:	ABC3D15E29 (1)
Weight, g/mol:	285.12957
ΔH_f, kcal/mol:	-166.07
Dipole, Da:	5.33
IP(EA), eV:	-8.82(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CNC(CC1CCCCO1)C2CCCC(C2)S(=O)(=O)C

DOS

IR

Vibrations