Geometry & MOs

Info

ID:	437726
PubChem CID:	135226955
Reduced:	SF2N3O3H21C23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	317.289407
ΔH_f, kcal/mol:	-112.39
Dipole, Da:	6.6
IP(EA), eV:	-8.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorocyclohexyl)-N-ethyl-4-propan-2-yloctan-3-amine

Drug info:

PubChemData

Smile

CCS(=NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C)(=O)C

DOS

IR

Vibrations