Geometry & MOs

Info

ID:	309414
PubChem CID:	126546110
Reduced:	N2O2F3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	280.163872
ΔH_f, kcal/mol:	-221.48
Dipole, Da:	5.63
IP(EA), eV:	-9.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3-difluorophenyl)cyclohexyl]oxane

Drug info:

PubChemData

Smile

C1[C@H]2CC3CC1CC(C2)(O3)NC(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations